3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide

C16H15BrClNO — CID 43011216

IUPAC3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCc1ccccc1Cl
InChIInChI=1S/C16H15BrClNO/c17-14-6-3-4-12(10-14)8-9-16(20)19-11-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyNIMAHTXAAGWCOM-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.35
Rot. Bonds5

About 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide

3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 43011216) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID43011216
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCc1ccccc1Cl
InChIInChI=1S/C16H15BrClNO/c17-14-6-3-4-12(10-14)8-9-16(20)19-11-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyNIMAHTXAAGWCOM-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

N-[(4-bromo-2-chlorophenyl)methyl]-3-phenylpropanamide
CID 47444968
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-bromobenzoate
CID 7959943
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 127122248
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide (CID 43011216) is 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide is O=C(CCc1cccc(Br)c1)NCc1ccccc1Cl.
What is the InChIKey of 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is NIMAHTXAAGWCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c17-14-6-3-4-12(10-14)8-9-16(20)19-11-13-5-1-2-7-15(13)18/h1-7,10H,8-9,11H2,(H,19,20).
What are the key properties of 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide?
3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide 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 3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 43011216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).