N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide

C17H14F2N2O2 — CID 17434299

IUPACN-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N2O2/c18-13-8-5-10(9-14(13)19)16(22)21-15-4-2-1-3-12(15)17(23)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,23)(H,21,22)
InChIKeyBHGRTNHQEPMQIR-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide

N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide (PubChem CID 17434299) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
PubChem CID17434299
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC NameN-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N2O2/c18-13-8-5-10(9-14(13)19)16(22)21-15-4-2-1-3-12(15)17(23)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,23)(H,21,22)
InChIKeyBHGRTNHQEPMQIR-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-[2-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37029500
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 87026429
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
N-cyclopropyl-2-[[4-(difluoromethylsulfanyl)benzoyl]amino]benzamide
CID 42030004
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 9453681
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376014
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[(4-chlorobenzoyl)amino]benzamide;hydrochloride
CID 119455037

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide (CID 17434299) is N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The InChIKey is BHGRTNHQEPMQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-13-8-5-10(9-14(13)19)16(22)21-15-4-2-1-3-12(15)17(23)20-11-6-7-11/h1-5,8-9,11H,6-7H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide?
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide has a molecular weight of 316.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 17434299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).