N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide

C15H13BrClNO — CID 62908416

IUPACN-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrClNO/c16-12-7-8-13(17)14(10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)
InChIKeyUSMNMAVXEFPBLP-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.67
Rot. Bonds4

About N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide

N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide (PubChem CID 62908416) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
PubChem CID62908416
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C15H13BrClNO/c16-12-7-8-13(17)14(10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19)
InChIKeyUSMNMAVXEFPBLP-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-(3-phenylpropanoylamino)benzoic acid
CID 60915838
N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
CID 62909114
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
CID 79198656
N-(5-bromo-2-chlorophenyl)-4-hydroxypentanamide
CID 79192467
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
CID 47444968
2-(2-aminophenyl)-N-(5-bromo-2-chlorophenyl)acetamide
CID 55132440
N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53267799
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
N-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62909620

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide (CID 62908416) is N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide?
The InChIKey is USMNMAVXEFPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c16-12-7-8-13(17)14(10-12)18-15(19)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,18,19).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide?
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide has a molecular weight of 338.63 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 62908416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).