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

C16H16BrClN2O — CID 109021435

IUPAC3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESO=C(CCNc1ccccc1Br)NCc1ccccc1Cl
InChIInChI=1S/C16H16BrClN2O/c17-13-6-2-4-8-15(13)19-10-9-16(21)20-11-12-5-1-3-7-14(12)18/h1-8,19H,9-11H2,(H,20,21)
InChIKeyOJYNITINBARNOY-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.22
Rot. Bonds6

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

3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 109021435) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID109021435
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESO=C(CCNc1ccccc1Br)NCc1ccccc1Cl
InChIInChI=1S/C16H16BrClN2O/c17-13-6-2-4-8-15(13)19-10-9-16(21)20-11-12-5-1-3-7-14(12)18/h1-8,19H,9-11H2,(H,20,21)
InChIKeyOJYNITINBARNOY-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(2-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021465
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975
N-[(2-chlorophenyl)methyl]-3-(3-fluoroanilino)propanamide
CID 109021434
3-(2-bromoanilino)-N-prop-2-enylpropanamide
CID 109011948
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
2-[(2-bromophenyl)methylsulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 3354065
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide (CID 109021435) is 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide is O=C(CCNc1ccccc1Br)NCc1ccccc1Cl.
What is the InChIKey of 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is OJYNITINBARNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c17-13-6-2-4-8-15(13)19-10-9-16(21)20-11-12-5-1-3-7-14(12)18/h1-8,19H,9-11H2,(H,20,21).
What are the key properties of 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide?
3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 367.67 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 109021435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).