3-(carbamoylamino)-N-(4-fluorophenyl)benzamide

C14H12FN3O2 — CID 8744972

IUPAC3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
SMILESNC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FN3O2/c15-10-4-6-11(7-5-10)17-13(19)9-2-1-3-12(8-9)18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20)
InChIKeyUTDICLLUBGSLNB-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.57
Rot. Bonds3

About 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide

3-(carbamoylamino)-N-(4-fluorophenyl)benzamide (PubChem CID 8744972) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
PubChem CID8744972
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
SMILESNC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FN3O2/c15-10-4-6-11(7-5-10)17-13(19)9-2-1-3-12(8-9)18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20)
InChIKeyUTDICLLUBGSLNB-UHFFFAOYSA-N
XLogP2.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9210618
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
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CID 889139
3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
CID 9097762
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
4-[3-[(4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 26158821
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide (CID 8744972) is 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide is NC(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide?
The InChIKey is UTDICLLUBGSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-10-4-6-11(7-5-10)17-13(19)9-2-1-3-12(8-9)18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20).
What are the key properties of 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide?
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide has a molecular weight of 273.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 8744972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).