2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide

C16H15BrClNO2 — CID 114300077

IUPAC2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC(CCl)c2ccccc2)c1
InChIInChI=1S/C16H15BrClNO2/c1-21-12-7-8-14(17)13(9-12)16(20)19-15(10-18)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,19,20)
InChIKeyGBBIIHIVCLYQIW-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.17
Rot. Bonds5

About 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide

2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide (PubChem CID 114300077) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
PubChem CID114300077
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC(CCl)c2ccccc2)c1
InChIInChI=1S/C16H15BrClNO2/c1-21-12-7-8-14(17)13(9-12)16(20)19-15(10-18)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,19,20)
InChIKeyGBBIIHIVCLYQIW-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-bromo-5-methoxybenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55369954
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
2-bromo-N-(5-chloropentan-2-yl)-5-methoxybenzamide
CID 114305731
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047
N-(2-chloro-1-phenylethyl)-2-(4-methoxyphenyl)acetamide
CID 114300105
4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
CID 114300186
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methoxypropanoate
CID 75448580

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide (CID 114300077) is 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC(CCl)c2ccccc2)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide?
The InChIKey is GBBIIHIVCLYQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-21-12-7-8-14(17)13(9-12)16(20)19-15(10-18)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide?
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide is sourced from PubChem (CID 114300077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).