2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide

C21H24ClFN2O — CID 70326296

IUPAC2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide
SMILESCNC1(C(NC(=O)c2cccc(CF)c2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C21H24ClFN2O/c1-24-21(12-5-6-13-21)19(15-8-3-2-4-9-15)25-20(26)17-11-7-10-16(14-23)18(17)22/h2-4,7-11,19,24H,5-6,12-14H2,1H3,(H,25,26)
InChIKeyYRGMSJOVOYLWHK-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.81
Rot. Bonds6

About 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide

2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide (PubChem CID 70326296) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide
PubChem CID70326296
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide
SMILESCNC1(C(NC(=O)c2cccc(CF)c2Cl)c2ccccc2)CCCC1
InChIInChI=1S/C21H24ClFN2O/c1-24-21(12-5-6-13-21)19(15-8-3-2-4-9-15)25-20(26)17-11-7-10-16(14-23)18(17)22/h2-4,7-11,19,24H,5-6,12-14H2,1H3,(H,25,26)
InChIKeyYRGMSJOVOYLWHK-UHFFFAOYSA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[1-(ethylamino)cyclopentyl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 69279489
2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 68502805
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
2,3-dichloro-N-[(S)-(5-ethyl-1,2-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
CID 25207067
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
CID 11711197
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
4-amino-3-chloro-N-[[4-ethyl-1-(methylamino)cyclohexyl]-phenylmethyl]-5-(trifluoromethyl)benzamide
CID 25206408
2,3-dichloro-N-[(R)-(2,5-dimethylpiperidin-2-yl)-phenylmethyl]benzamide
CID 70272096
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
3-[(2-chloro-3-fluorobenzoyl)amino]-2-methyl-3-phenylpropanoic acid
CID 75513392
N-[(1-but-1-en-2-ylcyclopentyl)-phenylmethyl]-2,4-dichlorobenzamide
CID 143249938

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide?
The IUPAC name of 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide (CID 70326296) is 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide.
What is the SMILES notation for 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide?
The canonical SMILES for 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide is CNC1(C(NC(=O)c2cccc(CF)c2Cl)c2ccccc2)CCCC1.
What is the InChIKey of 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide?
The InChIKey is YRGMSJOVOYLWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-24-21(12-5-6-13-21)19(15-8-3-2-4-9-15)25-20(26)17-11-7-10-16(14-23)18(17)22/h2-4,7-11,19,24H,5-6,12-14H2,1H3,(H,25,26).
What are the key properties of 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide?
2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide has a molecular weight of 374.89 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(fluoromethyl)-N-[[1-(methylamino)cyclopentyl]-phenylmethyl]benzamide is sourced from PubChem (CID 70326296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).