N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide

C30H29Cl2F4NO — CID 88930092

IUPACN-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1ccc(CN(CCc2cc(Cl)cc(C3CC3)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1
InChIInChI=1S/C30H29Cl2F4NO/c1-29(2,3)22-8-4-18(5-9-22)17-37(11-10-19-12-21(20-6-7-20)14-24(31)13-19)28(38)25-15-23(30(34,35)36)16-26(32)27(25)33/h4-5,8-9,12-16,20H,6-7,10-11,17H2,1-3H3
InChIKeyOKZCVFQKOICFGW-UHFFFAOYSA-N
MW566.47 g/mol
LogP9.21
Rot. Bonds7

About N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide

N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 88930092) has the molecular formula C30H29Cl2F4NO and a molecular weight of 566.47 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID88930092
Molecular FormulaC30H29Cl2F4NO
Molecular Weight566.47 g/mol
Exact Mass565.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1ccc(CN(CCc2cc(Cl)cc(C3CC3)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1
InChIInChI=1S/C30H29Cl2F4NO/c1-29(2,3)22-8-4-18(5-9-22)17-37(11-10-19-12-21(20-6-7-20)14-24(31)13-19)28(38)25-15-23(30(34,35)36)16-26(32)27(25)33/h4-5,8-9,12-16,20H,6-7,10-11,17H2,1-3H3
InChIKeyOKZCVFQKOICFGW-UHFFFAOYSA-N
XLogP9.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.47
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 88930033
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[3-(3-chlorophenyl)propyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 88930081
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(2-chloro-4-pyridinyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 24737788
3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide
CID 88930016
N-[(4-tert-butylphenyl)methyl]-2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
CID 24737934
5-chloro-2-(cyanomethylamino)-N-[(4-cyclopropylphenyl)methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87542922
5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-(ethylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 68703247
N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-2-fluoropyridine-3-carboxamide
CID 24738252
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-1H-indole-7-carboxamide
CID 86603089
5-chloro-N-[(4-cyclopentylphenyl)methyl]-2-(ethylamino)-N-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68696423
2-amino-5-bromo-N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68699008
3,5-dichloro-N-[(4-cyclopropylphenyl)methyl]-2-(methylamino)-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 68698818

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide (CID 88930092) is N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide is CC(C)(C)c1ccc(CN(CCc2cc(Cl)cc(C3CC3)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is OKZCVFQKOICFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl2F4NO/c1-29(2,3)22-8-4-18(5-9-22)17-37(11-10-19-12-21(20-6-7-20)14-24(31)13-19)28(38)25-15-23(30(34,35)36)16-26(32)27(25)33/h4-5,8-9,12-16,20H,6-7,10-11,17H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide?
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 566.47 g/mol, XLogP of 9.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 88930092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).