N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide

C16H15BrClNO — CID 47444968

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNO/c17-14-8-7-13(15(18)10-14)11-19-16(20)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,19,20)
InChIKeyOYWTXHMENGQJQI-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.35
Rot. Bonds5

About N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide

N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide (PubChem CID 47444968) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
PubChem CID47444968
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNO/c17-14-8-7-13(15(18)10-14)11-19-16(20)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,19,20)
InChIKeyOYWTXHMENGQJQI-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
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N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
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CID 2906661
3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide
CID 172652070
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-phenylethoxy)benzamide
CID 46762525
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
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N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
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N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide (CID 47444968) is N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is OYWTXHMENGQJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c17-14-8-7-13(15(18)10-14)11-19-16(20)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11H2,(H,19,20).
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide?
N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 352.66 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 47444968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).