2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C28H27Cl2F3N2O2 — CID 68695209

IUPAC2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2(OC)CC2)cc1
InChIInChI=1S/C28H27Cl2F3N2O2/c1-34-23-11-10-22(29)25(30)24(23)26(36)35(15-12-18-4-3-5-21(16-18)28(31,32)33)17-19-6-8-20(9-7-19)27(37-2)13-14-27/h3-11,16,34H,12-15,17H2,1-2H3
InChIKeyNMNUJPIBSMEIAY-UHFFFAOYSA-N
MW551.44 g/mol
LogP7.57
Rot. Bonds9

About 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide

2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 68695209) has the molecular formula C28H27Cl2F3N2O2 and a molecular weight of 551.44 g/mol. Its IUPAC name is 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID68695209
Molecular FormulaC28H27Cl2F3N2O2
Molecular Weight551.44 g/mol
Exact Mass550.14
IUPAC Name2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2(OC)CC2)cc1
InChIInChI=1S/C28H27Cl2F3N2O2/c1-34-23-11-10-22(29)25(30)24(23)26(36)35(15-12-18-4-3-5-21(16-18)28(31,32)33)17-19-6-8-20(9-7-19)27(37-2)13-14-27/h3-11,16,34H,12-15,17H2,1-2H3
InChIKeyNMNUJPIBSMEIAY-UHFFFAOYSA-N
XLogP7.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.44
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[4-(1-methoxycyclobutyl)phenyl]methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-7-carboxamide
CID 90913958
6-chloro-3-(methylamino)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 91029985
2,3-dichloro-6-(cyanomethylamino)-N-[(4-cyclopropylphenyl)methyl]-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 87543735
N-[(4-tert-butylphenyl)methyl]-3-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 91034589
5-chloro-2-(cyanomethylamino)-N-[(4-cyclopropylphenyl)methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87542922
3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide
CID 88930016
2-amino-5-bromo-N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68699008
5-chloro-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-2-(ethylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68699676
N-[(4-tert-butylphenyl)methyl]-6-chloro-3-(methylamino)-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-2-carboxamide
CID 91043006
6-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-3-(methylamino)pyridine-2-carboxamide
CID 91020396
N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 13478469
5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-(ethylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 68703247

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 68695209) is 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2(OC)CC2)cc1.
What is the InChIKey of 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is NMNUJPIBSMEIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2F3N2O2/c1-34-23-11-10-22(29)25(30)24(23)26(36)35(15-12-18-4-3-5-21(16-18)28(31,32)33)17-19-6-8-20(9-7-19)27(37-2)13-14-27/h3-11,16,34H,12-15,17H2,1-2H3.
What are the key properties of 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 551.44 g/mol, XLogP of 7.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[4-(1-methoxycyclopropyl)phenyl]methyl]-6-(methylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 68695209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).