N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide

C21H23ClFNO — CID 160996728

IUPACN-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide
SMILESCc1ccc(C2CCC(CC(=O)Nc3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C21H23ClFNO/c1-14-2-6-16(7-3-14)17-8-4-15(5-9-17)12-21(25)24-20-11-10-18(22)13-19(20)23/h2-3,6-7,10-11,13,15,17H,4-5,8-9,12H2,1H3,(H,24,25)
InChIKeyTVIPVILDTILZDL-UHFFFAOYSA-N
MW359.87 g/mol
LogP6.09
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide (PubChem CID 160996728) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide
PubChem CID160996728
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide
SMILESCc1ccc(C2CCC(CC(=O)Nc3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C21H23ClFNO/c1-14-2-6-16(7-3-14)17-8-4-15(5-9-17)12-21(25)24-20-11-10-18(22)13-19(20)23/h2-3,6-7,10-11,13,15,17H,4-5,8-9,12H2,1H3,(H,24,25)
InChIKeyTVIPVILDTILZDL-UHFFFAOYSA-N
XLogP6.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.87
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 161440636
bis(2-[4-(4-chloro-2-fluorophenyl)cyclohexyl]-N-(4-chlorophenyl)acetamide);methane
CID 167552414
[4-chloro-2-[(2-cyclopropylacetyl)amino]phenyl]boronic acid
CID 164645579
N-(4-chloro-3-fluorophenyl)-2-[4-(3-methylphenyl)cyclohexyl]acetamide
CID 146986934
N-(2,3-difluorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 174866386
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064599
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-(4-chloro-2-fluorophenyl)-2-[(7S)-3-(oxan-4-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl]acetamide
CID 164636789
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide (CID 160996728) is N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide is Cc1ccc(C2CCC(CC(=O)Nc3ccc(Cl)cc3F)CC2)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide?
The InChIKey is TVIPVILDTILZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO/c1-14-2-6-16(7-3-14)17-8-4-15(5-9-17)12-21(25)24-20-11-10-18(22)13-19(20)23/h2-3,6-7,10-11,13,15,17H,4-5,8-9,12H2,1H3,(H,24,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide has a molecular weight of 359.87 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 160996728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).