[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid

C15H12F2N2O3 — CID 137353520

IUPAC[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
SMILESCc1cc(C(=O)Nc2cc(NC(=O)O)ccc2F)ccc1F
InChIInChI=1S/C15H12F2N2O3/c1-8-6-9(2-4-11(8)16)14(20)19-13-7-10(18-15(21)22)3-5-12(13)17/h2-7,18H,1H3,(H,19,20)(H,21,22)
InChIKeyDWFORBWVOBMBTQ-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.62
Rot. Bonds3

About [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid

[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid (PubChem CID 137353520) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
PubChem CID137353520
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Name[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid
SMILESCc1cc(C(=O)Nc2cc(NC(=O)O)ccc2F)ccc1F
InChIInChI=1S/C15H12F2N2O3/c1-8-6-9(2-4-11(8)16)14(20)19-13-7-10(18-15(21)22)3-5-12(13)17/h2-7,18H,1H3,(H,19,20)(H,21,22)
InChIKeyDWFORBWVOBMBTQ-UHFFFAOYSA-N
XLogP3.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid
CID 137353706
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid?
The IUPAC name of [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid (CID 137353520) is [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid.
What is the SMILES notation for [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid?
The canonical SMILES for [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid is Cc1cc(C(=O)Nc2cc(NC(=O)O)ccc2F)ccc1F.
What is the InChIKey of [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid?
The InChIKey is DWFORBWVOBMBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-8-6-9(2-4-11(8)16)14(20)19-13-7-10(18-15(21)22)3-5-12(13)17/h2-7,18H,1H3,(H,19,20)(H,21,22).
What are the key properties of [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid?
[4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid has a molecular weight of 306.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]phenyl]carbamic acid is sourced from PubChem (CID 137353520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).