4-bromo-N-[4-(carbamoylamino)phenyl]benzamide

C14H12BrN3O2 — CID 33151789

IUPAC4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)13(19)17-11-5-7-12(8-6-11)18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20)
InChIKeyKLFMKWSTWDGLTC-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.19
Rot. Bonds3

About 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide

4-bromo-N-[4-(carbamoylamino)phenyl]benzamide (PubChem CID 33151789) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
PubChem CID33151789
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
SMILESNC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)13(19)17-11-5-7-12(8-6-11)18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20)
InChIKeyKLFMKWSTWDGLTC-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 16074
4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
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CID 144812194
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
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N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
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CID 2214535
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite
CID 21148482
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
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CID 26913884

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide (CID 33151789) is 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide is NC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide?
The InChIKey is KLFMKWSTWDGLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)13(19)17-11-5-7-12(8-6-11)18-14(16)20/h1-8H,(H,17,19)(H3,16,18,20).
What are the key properties of 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide?
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide has a molecular weight of 334.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(carbamoylamino)phenyl]benzamide is sourced from PubChem (CID 33151789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).