3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide

C16H15BrClNO — CID 43011145

IUPAC3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO/c1-11-9-14(18)6-7-15(11)19-16(20)8-5-12-3-2-4-13(17)10-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,19,20)
InChIKeyYQEVODJBHQRATG-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.98
Rot. Bonds4

About 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide

3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 43011145) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID43011145
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C16H15BrClNO/c1-11-9-14(18)6-7-15(11)19-16(20)8-5-12-3-2-4-13(17)10-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,19,20)
InChIKeyYQEVODJBHQRATG-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
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3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
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N-(2-bromo-4-chlorophenyl)-2-(3-bromophenyl)acetamide
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2-(N-acetyl-3-bromoanilino)-N-(4-chloro-2-methylphenyl)acetamide
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N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide (CID 43011145) is 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is YQEVODJBHQRATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11-9-14(18)6-7-15(11)19-16(20)8-5-12-3-2-4-13(17)10-12/h2-4,6-7,9-10H,5,8H2,1H3,(H,19,20).
What are the key properties of 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide?
3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 352.66 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 43011145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).