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

C21H22F2N2O2 — CID 55722774

IUPACN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1F
InChIInChI=1S/C21H22F2N2O2/c1-13-7-8-15(11-18(13)23)21(27)24-16-9-10-17(22)19(12-16)25-20(26)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,24,27)(H,25,26)
InChIKeyNGDQLDSPHBYDGY-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.04
Rot. Bonds4

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

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide (PubChem CID 55722774) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
PubChem CID55722774
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1F
InChIInChI=1S/C21H22F2N2O2/c1-13-7-8-15(11-18(13)23)21(27)24-16-9-10-17(22)19(12-16)25-20(26)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,24,27)(H,25,26)
InChIKeyNGDQLDSPHBYDGY-UHFFFAOYSA-N
XLogP5.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
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-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide (CID 55722774) is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1F.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide?
The InChIKey is NGDQLDSPHBYDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-13-7-8-15(11-18(13)23)21(27)24-16-9-10-17(22)19(12-16)25-20(26)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide?
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide has a molecular weight of 372.42 g/mol, XLogP of 5.04, 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-fluoro-4-methylbenzamide is sourced from PubChem (CID 55722774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).