N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide

C16H16BrN3O2 — CID 108898790

IUPACN-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11(21)19-14-5-7-15(8-6-14)20-16(22)18-10-12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyGXJNDDCOSNRBRM-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.73
Rot. Bonds4

About N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide

N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 108898790) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
PubChem CID108898790
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC NameN-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11(21)19-14-5-7-15(8-6-14)20-16(22)18-10-12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyGXJNDDCOSNRBRM-UHFFFAOYSA-N
XLogP3.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-3-[4-(diethylamino)phenyl]urea
CID 108898942
1-[4-(1-aminoethyl)phenyl]-3-[(3-bromophenyl)methyl]urea
CID 61414360
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-[(3-bromophenyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 3775180
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
N-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778314
1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
3-[[(4-bromophenyl)carbamoylamino]methyl]benzoic acid
CID 61189827
1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
CID 25236910
1-[(3-bromophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898870
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide (CID 108898790) is N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is GXJNDDCOSNRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-11(21)19-14-5-7-15(8-6-14)20-16(22)18-10-12-3-2-4-13(17)9-12/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide?
N-[4-[(3-bromophenyl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 362.23 g/mol, XLogP of 3.73, 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)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108898790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).