N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide

C24H26Cl2F6N2O — CID 23567622

IUPACN-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCCCN(CC)CCC(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H26Cl2F6N2O/c1-3-8-34(4-2)9-7-16(15-5-6-20(25)21(26)12-15)14-33-22(35)17-10-18(23(27,28)29)13-19(11-17)24(30,31)32/h5-6,10-13,16H,3-4,7-9,14H2,1-2H3,(H,33,35)
InChIKeyRDPHBUYEZHCQGC-UHFFFAOYSA-N
MW543.38 g/mol
LogP7.67
Rot. Bonds10

About N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 23567622) has the molecular formula C24H26Cl2F6N2O and a molecular weight of 543.38 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID23567622
Molecular FormulaC24H26Cl2F6N2O
Molecular Weight543.38 g/mol
Exact Mass542.13
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCCCN(CC)CCC(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H26Cl2F6N2O/c1-3-8-34(4-2)9-7-16(15-5-6-20(25)21(26)12-15)14-33-22(35)17-10-18(23(27,28)29)13-19(11-17)24(30,31)32/h5-6,10-13,16H,3-4,7-9,14H2,1-2H3,(H,33,35)
InChIKeyRDPHBUYEZHCQGC-UHFFFAOYSA-N
XLogP7.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.38
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclopentylamino)-2-(3,4-dichlorophenyl)butyl]-3,5-bis(trifluoromethyl)benzamide
CID 22177260
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,4-dichlorophenyl)-4-[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]butyl]urea
CID 23567438
N-[(2S)-2-(diethylamino)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 52585751
N-[(2S)-2-(3,4-dichlorophenyl)pent-4-enyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 56976945
3-[2-[ethyl(propyl)amino]ethylamino]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 143912635
(2S)-2-(3,4-dichlorophenyl)-N'-ethyl-N'-[2-(4-fluoropiperidin-1-yl)ethyl]-N-methylbutane-1,4-diamine
CID 70988296
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,4-dichlorophenyl)-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butyl]urea
CID 23567428
3-chloro-N-[(2R)-2-hydroxypropyl]-5-(trifluoromethyl)benzamide
CID 99599053
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,4-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)butyl]urea
CID 23567427
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-ethylphenyl)piperazin-1-yl]butyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 152909076

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide (CID 23567622) is N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide is CCCN(CC)CCC(CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is RDPHBUYEZHCQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2F6N2O/c1-3-8-34(4-2)9-7-16(15-5-6-20(25)21(26)12-15)14-33-22(35)17-10-18(23(27,28)29)13-19(11-17)24(30,31)32/h5-6,10-13,16H,3-4,7-9,14H2,1-2H3,(H,33,35).
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 543.38 g/mol, XLogP of 7.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-[ethyl(propyl)amino]butyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 23567622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).