N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide

C18H21ClN2O — CID 109021695

IUPACN-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
SMILESCCc1ccccc1NCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-2-15-5-3-4-6-17(15)20-12-11-18(22)21-13-14-7-9-16(19)10-8-14/h3-10,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyZSUUARKGAIHOMK-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.02
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide

N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide (PubChem CID 109021695) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
PubChem CID109021695
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
SMILESCCc1ccccc1NCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-2-15-5-3-4-6-17(15)20-12-11-18(22)21-13-14-7-9-16(19)10-8-14/h3-10,20H,2,11-13H2,1H3,(H,21,22)
InChIKeyZSUUARKGAIHOMK-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
CID 109027923
3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021070
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
CID 109036245
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
N-tert-butyl-3-(2-ethylanilino)propanamide
CID 109031330
N-[2-[[2-(4-chlorophenyl)acetyl]amino]phenyl]butanamide
CID 975522
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide (CID 109021695) is N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide is CCc1ccccc1NCCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide?
The InChIKey is ZSUUARKGAIHOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-15-5-3-4-6-17(15)20-12-11-18(22)21-13-14-7-9-16(19)10-8-14/h3-10,20H,2,11-13H2,1H3,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide?
N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide is sourced from PubChem (CID 109021695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).