N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide

C13H19ClN2O — CID 61259854

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-15-9-2-3-13(17)16-10-8-11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyNWLIHHFFVYBQNH-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide

N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide (PubChem CID 61259854) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
PubChem CID61259854
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-15-9-2-3-13(17)16-10-8-11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyNWLIHHFFVYBQNH-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
tert-butyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 9211021
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
N-[2-(4-chlorophenyl)ethyl]-N'-[2-(diethylamino)ethyl]pentanediamide
CID 3939091
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide (CID 61259854) is N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide is CNCCCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide?
The InChIKey is NWLIHHFFVYBQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-15-9-2-3-13(17)16-10-8-11-4-6-12(14)7-5-11/h4-7,15H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide?
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide has a molecular weight of 254.76 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 61259854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).