N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide

C17H13ClF2N2O2 — CID 87026429

IUPACN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13ClF2N2O2/c18-13-5-4-11(8-12(13)17(24)21-10-2-3-10)22-16(23)9-1-6-14(19)15(20)7-9/h1,4-8,10H,2-3H2,(H,21,24)(H,22,23)
InChIKeyXBYDOHILCVPQGS-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.76
Rot. Bonds4

About N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide

N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide (PubChem CID 87026429) has the molecular formula C17H13ClF2N2O2 and a molecular weight of 350.75 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
PubChem CID87026429
Molecular FormulaC17H13ClF2N2O2
Molecular Weight350.75 g/mol
Exact Mass350.06
IUPAC NameN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13ClF2N2O2/c18-13-5-4-11(8-12(13)17(24)21-10-2-3-10)22-16(23)9-1-6-14(19)15(20)7-9/h1,4-8,10H,2-3H2,(H,21,24)(H,22,23)
InChIKeyXBYDOHILCVPQGS-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 71890363
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17188463
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
N-(3-cyclopropylsulfinamoyl-4-fluorophenyl)-3,4-difluorobenzamide
CID 144662827
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
N-(3-carbamothioyl-4-fluorophenyl)-4-chloro-3-fluorobenzamide
CID 107987783
2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
CID 17188414

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide (CID 87026429) is N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide is O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The InChIKey is XBYDOHILCVPQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O2/c18-13-5-4-11(8-12(13)17(24)21-10-2-3-10)22-16(23)9-1-6-14(19)15(20)7-9/h1,4-8,10H,2-3H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide?
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide has a molecular weight of 350.75 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 87026429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).