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

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

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

Launch Full Analysis

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).