[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid

C14H9F3N2O3 — CID 137353706

IUPAC[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(F)c(NC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H9F3N2O3/c15-9-3-1-7(5-11(9)17)13(20)19-12-6-8(18-14(21)22)2-4-10(12)16/h1-6,18H,(H,19,20)(H,21,22)
InChIKeyVSBBZNUYFYHBHY-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.45
Rot. Bonds3

About [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid

[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid (PubChem CID 137353706) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid
PubChem CID137353706
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(F)c(NC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H9F3N2O3/c15-9-3-1-7(5-11(9)17)13(20)19-12-6-8(18-14(21)22)2-4-10(12)16/h1-6,18H,(H,19,20)(H,21,22)
InChIKeyVSBBZNUYFYHBHY-UHFFFAOYSA-N
XLogP3.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
CID 137353520
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
2-chloro-5-[(3,4-difluorobenzoyl)amino]benzoic acid
CID 60748188
3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745099
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid?
The IUPAC name of [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid (CID 137353706) is [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid.
What is the SMILES notation for [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid?
The canonical SMILES for [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid is O=C(O)Nc1ccc(F)c(NC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid?
The InChIKey is VSBBZNUYFYHBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-9-3-1-7(5-11(9)17)13(20)19-12-6-8(18-14(21)22)2-4-10(12)16/h1-6,18H,(H,19,20)(H,21,22).
What are the key properties of [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid?
[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid has a molecular weight of 310.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid is sourced from PubChem (CID 137353706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).