3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide

C17H18BrClN2O — CID 109027975

IUPAC3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCNc1ccccc1Br)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H18BrClN2O/c18-15-3-1-2-4-16(15)20-12-10-17(22)21-11-9-13-5-7-14(19)8-6-13/h1-8,20H,9-12H2,(H,21,22)
InChIKeyOVTFIQPBLMEEBC-UHFFFAOYSA-N
MW381.70 g/mol
LogP4.26
Rot. Bonds7

About 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide

3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 109027975) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID109027975
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC Name3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCNc1ccccc1Br)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H18BrClN2O/c18-15-3-1-2-4-16(15)20-12-10-17(22)21-11-9-13-5-7-14(19)8-6-13/h1-8,20H,9-12H2,(H,21,22)
InChIKeyOVTFIQPBLMEEBC-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025842
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
CID 109027992
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 109021435
2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 33161527
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
3-(2-bromoanilino)-N-prop-2-enylpropanamide
CID 109011948
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 109027975) is 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide is O=C(CCNc1ccccc1Br)NCCc1ccc(Cl)cc1.
What is the InChIKey of 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is OVTFIQPBLMEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c18-15-3-1-2-4-16(15)20-12-10-17(22)21-11-9-13-5-7-14(19)8-6-13/h1-8,20H,9-12H2,(H,21,22).
What are the key properties of 3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 381.70 g/mol, XLogP of 4.26, 7 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-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 109027975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).