N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide

C13H19ClN2O — CID 82354216

IUPACN-(2-aminopropyl)-4-(4-chlorophenyl)butanamide
SMILESCC(N)CNC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-10(15)9-16-13(17)4-2-3-11-5-7-12(14)8-6-11/h5-8,10H,2-4,9,15H2,1H3,(H,16,17)
InChIKeyRKYPHNGTQJSVLV-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.13
Rot. Bonds6

About N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide

N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide (PubChem CID 82354216) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-(4-chlorophenyl)butanamide
PubChem CID82354216
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(2-aminopropyl)-4-(4-chlorophenyl)butanamide
SMILESCC(N)CNC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-10(15)9-16-13(17)4-2-3-11-5-7-12(14)8-6-11/h5-8,10H,2-4,9,15H2,1H3,(H,16,17)
InChIKeyRKYPHNGTQJSVLV-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(4-chlorophenyl)butanoylamino]methyl]-4-methylpentanoic acid
CID 119252864
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
3-[4-(4-chlorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 119254555
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
2-methyl-3-[4-(4-methylphenyl)butanoylamino]propanoic acid
CID 119236583
6-[4-(4-chlorophenyl)butanoylamino]-2-propan-2-ylhexanoic acid
CID 170776958
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
N-(3-amino-2-methylpropyl)-4-(4-bromophenyl)butanamide
CID 115271775
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide?
The IUPAC name of N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide (CID 82354216) is N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide.
What is the SMILES notation for N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide?
The canonical SMILES for N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide is CC(N)CNC(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide?
The InChIKey is RKYPHNGTQJSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(15)9-16-13(17)4-2-3-11-5-7-12(14)8-6-11/h5-8,10H,2-4,9,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide?
N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide has a molecular weight of 254.76 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-(4-chlorophenyl)butanamide is sourced from PubChem (CID 82354216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).