N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide

C21H23FN2O2 — CID 55722520

IUPACN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C21H23FN2O2/c1-14-6-5-9-16(12-14)21(26)23-17-10-11-18(22)19(13-17)24-20(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyNQGKOVBJVIHYDJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.91
Rot. Bonds4

About N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide (PubChem CID 55722520) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
PubChem CID55722520
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C21H23FN2O2/c1-14-6-5-9-16(12-14)21(26)23-17-10-11-18(22)19(13-17)24-20(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyNQGKOVBJVIHYDJ-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide
CID 35337961
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-3-methylbenzamide
CID 3653941
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
cis-(1R,3S)-3-[[3-(cyclohexanecarbonylamino)-4-fluorophenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065318
4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide
CID 119711617
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008987

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide (CID 55722520) is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide?
The InChIKey is NQGKOVBJVIHYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-14-6-5-9-16(12-14)21(26)23-17-10-11-18(22)19(13-17)24-20(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide?
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide has a molecular weight of 354.43 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide is sourced from PubChem (CID 55722520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).