3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide

C15H14FN3O2 — CID 9097762

IUPAC3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C15H14FN3O2/c1-9-5-6-11(16)8-13(9)19-14(20)10-3-2-4-12(7-10)18-15(17)21/h2-8H,1H3,(H,19,20)(H3,17,18,21)
InChIKeyVCTRNVVEVJLQQP-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.88
Rot. Bonds3

About 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide

3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide (PubChem CID 9097762) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
PubChem CID9097762
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C15H14FN3O2/c1-9-5-6-11(16)8-13(9)19-14(20)10-3-2-4-12(7-10)18-15(17)21/h2-8H,1H3,(H,19,20)(H3,17,18,21)
InChIKeyVCTRNVVEVJLQQP-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 17427553
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CID 4155198
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
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3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide (CID 9097762) is 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide is Cc1ccc(F)cc1NC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide?
The InChIKey is VCTRNVVEVJLQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-5-6-11(16)8-13(9)19-14(20)10-3-2-4-12(7-10)18-15(17)21/h2-8H,1H3,(H,19,20)(H3,17,18,21).
What are the key properties of 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide?
3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 9097762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).