3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide

C16H16BrClN2O — CID 107872355

IUPAC3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-10-14(8-12(17)9-15(10)19)16(21)20-6-5-11-3-2-4-13(18)7-11/h2-4,7-9H,5-6,19H2,1H3,(H,20,21)
InChIKeyKDYFFDVOTQPKRU-UHFFFAOYSA-N
MW367.67 g/mol
LogP3.97
Rot. Bonds4

About 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide

3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide (PubChem CID 107872355) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
PubChem CID107872355
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-10-14(8-12(17)9-15(10)19)16(21)20-6-5-11-3-2-4-13(18)7-11/h2-4,7-9H,5-6,19H2,1H3,(H,20,21)
InChIKeyKDYFFDVOTQPKRU-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 53.97
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-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
4-amino-N-[2-(3-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61113254
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
2-amino-N-[2-(3-chlorophenyl)ethylcarbamoyl]benzamide
CID 108901474
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
CID 39730732
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
2-(3-chlorophenyl)ethylurea
CID 127513466
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide (CID 107872355) is 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide?
The InChIKey is KDYFFDVOTQPKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-10-14(8-12(17)9-15(10)19)16(21)20-6-5-11-3-2-4-13(18)7-11/h2-4,7-9H,5-6,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide?
3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide has a molecular weight of 367.67 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 107872355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).