N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide

C15H14BrN3O2 — CID 155694087

IUPACN-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide
SMILESCc1cc(NC(=O)Nc2cccc(Br)c2)ccc1NC=O
InChIInChI=1S/C15H14BrN3O2/c1-10-7-13(5-6-14(10)17-9-20)19-15(21)18-12-4-2-3-11(16)8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyFYJJCZPDXCLQRZ-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.97
Rot. Bonds4

About N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide

N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide (PubChem CID 155694087) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide
PubChem CID155694087
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide
SMILESCc1cc(NC(=O)Nc2cccc(Br)c2)ccc1NC=O
InChIInChI=1S/C15H14BrN3O2/c1-10-7-13(5-6-14(10)17-9-20)19-15(21)18-12-4-2-3-11(16)8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21)
InChIKeyFYJJCZPDXCLQRZ-UHFFFAOYSA-N
XLogP3.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108870117
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515470
1-(3-bromophenyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108870095
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839711
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
(Z)-3-(4-bromo-2-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858758
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide?
The IUPAC name of N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide (CID 155694087) is N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide.
What is the SMILES notation for N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide?
The canonical SMILES for N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide is Cc1cc(NC(=O)Nc2cccc(Br)c2)ccc1NC=O.
What is the InChIKey of N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide?
The InChIKey is FYJJCZPDXCLQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-10-7-13(5-6-14(10)17-9-20)19-15(21)18-12-4-2-3-11(16)8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide?
N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide has a molecular weight of 348.20 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromophenyl)carbamoylamino]-2-methylphenyl]formamide is sourced from PubChem (CID 155694087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).