N-butyl-4-(4-chlorophenyl)butanamide

C14H20ClNO — CID 110297621

IUPACN-butyl-4-(4-chlorophenyl)butanamide
SMILESCCCCNC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-2-3-11-16-14(17)6-4-5-12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3,(H,16,17)
InChIKeyNVKQASLKRUEYSQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.58
Rot. Bonds7

About N-butyl-4-(4-chlorophenyl)butanamide

N-butyl-4-(4-chlorophenyl)butanamide (PubChem CID 110297621) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-butyl-4-(4-chlorophenyl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(4-chlorophenyl)butanamide
PubChem CID110297621
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-butyl-4-(4-chlorophenyl)butanamide
SMILESCCCCNC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO/c1-2-3-11-16-14(17)6-4-5-12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3,(H,16,17)
InChIKeyNVKQASLKRUEYSQ-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
3-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-butylpropanamide
CID 113121920
N-[3-(4-chlorophenyl)propyl]-4-(methylamino)butanamide
CID 119764682
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824
6-[4-(4-chlorophenyl)butanoylamino]-2-propan-2-ylhexanoic acid
CID 170776958
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-(4-chlorophenyl)-N-(2-pyrrol-1-ylethyl)butanamide
CID 70785091
N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-chlorophenyl)butanamide?
The IUPAC name of N-butyl-4-(4-chlorophenyl)butanamide (CID 110297621) is N-butyl-4-(4-chlorophenyl)butanamide.
What is the SMILES notation for N-butyl-4-(4-chlorophenyl)butanamide?
The canonical SMILES for N-butyl-4-(4-chlorophenyl)butanamide is CCCCNC(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-4-(4-chlorophenyl)butanamide?
The InChIKey is NVKQASLKRUEYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-3-11-16-14(17)6-4-5-12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3,(H,16,17).
What are the key properties of N-butyl-4-(4-chlorophenyl)butanamide?
N-butyl-4-(4-chlorophenyl)butanamide has a molecular weight of 253.77 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-chlorophenyl)butanamide is sourced from PubChem (CID 110297621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).