2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide

C16H16Br2N2O — CID 79705015

IUPAC2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C16H16Br2N2O/c1-10(8-11-2-4-12(17)5-3-11)20-16(21)14-7-6-13(18)9-15(14)19/h2-7,9-10H,8,19H2,1H3,(H,20,21)
InChIKeyKRJSJSHGRQHYCU-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.15
Rot. Bonds4

About 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide

2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide (PubChem CID 79705015) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
PubChem CID79705015
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C16H16Br2N2O/c1-10(8-11-2-4-12(17)5-3-11)20-16(21)14-7-6-13(18)9-15(14)19/h2-7,9-10H,8,19H2,1H3,(H,20,21)
InChIKeyKRJSJSHGRQHYCU-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
2-amino-4-bromo-N-(4-methylhexan-2-yl)benzamide
CID 79721645
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
2-amino-4-bromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 79723305
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-methoxybenzamide
CID 51948773
(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide (CID 79705015) is 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide is CC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide?
The InChIKey is KRJSJSHGRQHYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-10(8-11-2-4-12(17)5-3-11)20-16(21)14-7-6-13(18)9-15(14)19/h2-7,9-10H,8,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide?
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide has a molecular weight of 412.13 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 79705015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).