N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide

C17H13F3N2O2 — CID 35337961

IUPACN-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H13F3N2O2/c18-11-5-10(6-12(19)7-11)17(24)21-13-3-4-14(20)15(8-13)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,24)(H,22,23)
InChIKeyLGZBTEJRLJOTDF-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.70
Rot. Bonds4

About N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide

N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide (PubChem CID 35337961) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide
PubChem CID35337961
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC NameN-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H13F3N2O2/c18-11-5-10(6-12(19)7-11)17(24)21-13-3-4-14(20)15(8-13)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,24)(H,22,23)
InChIKeyLGZBTEJRLJOTDF-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.70
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-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520
N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 42948485
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
2-tert-butyl-N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-1,3-thiazole-5-carboxamide
CID 47073746
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151145
4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide
CID 119711617
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide (CID 35337961) is N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide is O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide?
The InChIKey is LGZBTEJRLJOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-11-5-10(6-12(19)7-11)17(24)21-13-3-4-14(20)15(8-13)22-16(23)9-1-2-9/h3-9H,1-2H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide?
N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide has a molecular weight of 334.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)-4-fluorophenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 35337961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).