2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide

C16H16BrClN2O — CID 62056776

IUPAC2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide
SMILESCC(C)(NC(=O)c1ccc(Cl)cc1N)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O/c1-16(2,10-3-5-11(17)6-4-10)20-15(21)13-8-7-12(18)9-14(13)19/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyXWHRCWMNNNOPDW-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.35
Rot. Bonds3

About 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide

2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide (PubChem CID 62056776) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide
PubChem CID62056776
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide
SMILESCC(C)(NC(=O)c1ccc(Cl)cc1N)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O/c1-16(2,10-3-5-11(17)6-4-10)20-15(21)13-8-7-12(18)9-14(13)19/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyXWHRCWMNNNOPDW-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.35
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

4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
CID 107951863
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115645898
5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 155523213
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzamide
CID 28893277
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
2-amino-4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 79715050
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide?
The IUPAC name of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide (CID 62056776) is 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide?
The canonical SMILES for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide is CC(C)(NC(=O)c1ccc(Cl)cc1N)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide?
The InChIKey is XWHRCWMNNNOPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-16(2,10-3-5-11(17)6-4-10)20-15(21)13-8-7-12(18)9-14(13)19/h3-9H,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide?
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide has a molecular weight of 367.67 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 62056776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).