4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide

C15H14BrN3O2 — CID 115769554

IUPAC4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(NC(N)=O)c2)ccc1Br
InChIInChI=1S/C15H14BrN3O2/c1-9-7-10(5-6-13(9)16)14(20)18-11-3-2-4-12(8-11)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21)
InChIKeyDZZOEZPYDOUECV-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.50
Rot. Bonds3

About 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide

4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide (PubChem CID 115769554) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
PubChem CID115769554
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(NC(N)=O)c2)ccc1Br
InChIInChI=1S/C15H14BrN3O2/c1-9-7-10(5-6-13(9)16)14(20)18-11-3-2-4-12(8-11)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21)
InChIKeyDZZOEZPYDOUECV-UHFFFAOYSA-N
XLogP3.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
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4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
1-N,3-N-bis[3-[(4-amino-3-methylbenzoyl)amino]phenyl]-5-hydroxybenzene-1,3-dicarboxamide
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2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
N-(3-acetamidophenyl)-4-bromo-3-hydroxybenzamide
CID 103871323
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
3-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)benzamide
CID 9210618
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
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N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide?
The IUPAC name of 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide (CID 115769554) is 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide is Cc1cc(C(=O)Nc2cccc(NC(N)=O)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide?
The InChIKey is DZZOEZPYDOUECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-9-7-10(5-6-13(9)16)14(20)18-11-3-2-4-12(8-11)19-15(17)21/h2-8H,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide?
4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide has a molecular weight of 348.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(carbamoylamino)phenyl]-3-methylbenzamide is sourced from PubChem (CID 115769554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).