N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide

C17H19ClN2O2 — CID 109021721

IUPACN-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-4-2-3-15(11-16)19-10-9-17(21)20-12-13-5-7-14(18)8-6-13/h2-8,11,19H,9-10,12H2,1H3,(H,20,21)
InChIKeyMHSGQDTVNMKUOX-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.47
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide

N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide (PubChem CID 109021721) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
PubChem CID109021721
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
SMILESCOc1cccc(NCCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O2/c1-22-16-4-2-3-15(11-16)19-10-9-17(21)20-12-13-5-7-14(18)8-6-13/h2-8,11,19H,9-10,12H2,1H3,(H,20,21)
InChIKeyMHSGQDTVNMKUOX-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
3-(3-methoxyanilino)propanamide
CID 43131962
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025597
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide (CID 109021721) is N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide is COc1cccc(NCCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide?
The InChIKey is MHSGQDTVNMKUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-22-16-4-2-3-15(11-16)19-10-9-17(21)20-12-13-5-7-14(18)8-6-13/h2-8,11,19H,9-10,12H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide?
N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide has a molecular weight of 318.80 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide is sourced from PubChem (CID 109021721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).