5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide

C17H11ClF4N2O — CID 55769401

IUPAC5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESN#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C17H11ClF4N2O/c18-13-5-6-15(19)14(7-13)16(25)24(10-17(20,21)22)9-12-3-1-11(8-23)2-4-12/h1-7H,9-10H2
InChIKeyVGBLAMQKKZMBDL-UHFFFAOYSA-N
MW370.73 g/mol
LogP4.56
Rot. Bonds4

About 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide

5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55769401) has the molecular formula C17H11ClF4N2O and a molecular weight of 370.73 g/mol. Its IUPAC name is 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55769401
Molecular FormulaC17H11ClF4N2O
Molecular Weight370.73 g/mol
Exact Mass370.05
IUPAC Name5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESN#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C17H11ClF4N2O/c18-13-5-6-15(19)14(7-13)16(25)24(10-17(20,21)22)9-12-3-1-11(8-23)2-4-12/h1-7H,9-10H2
InChIKeyVGBLAMQKKZMBDL-UHFFFAOYSA-N
XLogP4.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.73
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 52641992
5-amino-N-[(4-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 61105399
(2S)-N-[(4-cyanophenyl)methyl]-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 95625138
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 52641991
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
N-[(4-cyanophenyl)methyl]-7-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 55993414
N-[(4-cyanophenyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55769687
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
N-[(4-cyanophenyl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55993556
N-[(4-cyanophenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55993802

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide (CID 55769401) is 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide is N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VGBLAMQKKZMBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N2O/c18-13-5-6-15(19)14(7-13)16(25)24(10-17(20,21)22)9-12-3-1-11(8-23)2-4-12/h1-7H,9-10H2.
What are the key properties of 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 370.73 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55769401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).