N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide

C15H13BrClNO — CID 17252222

IUPACN-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1cccc(Br)c1
InChIInChI=1S/C15H13BrClNO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H,18,19)
InChIKeyKEHHXUNIZFTWNL-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.67
Rot. Bonds4

About N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide

N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide (PubChem CID 17252222) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
PubChem CID17252222
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1cccc(Br)c1
InChIInChI=1S/C15H13BrClNO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H,18,19)
InChIKeyKEHHXUNIZFTWNL-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

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N'-(3-bromophenyl)-N-phenylpropanediamide
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N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
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1-(3-bromophenyl)-3-(2-chlorophenyl)urea
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3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide (CID 17252222) is N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide is O=C(CCc1ccccc1Cl)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide?
The InChIKey is KEHHXUNIZFTWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c16-12-5-3-6-13(10-12)18-15(19)9-8-11-4-1-2-7-14(11)17/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide?
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide 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-(3-bromophenyl)-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 17252222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).