2-chloro-N,N-dipropylbutanamide

C10H20ClNO — CID 121204586

IUPAC2-chloro-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)C(Cl)CC
InChIInChI=1S/C10H20ClNO/c1-4-7-12(8-5-2)10(13)9(11)6-3/h9H,4-8H2,1-3H3
InChIKeyKDACUHDGEOFCAI-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.65
Rot. Bonds6

About 2-chloro-N,N-dipropylbutanamide

2-chloro-N,N-dipropylbutanamide (PubChem CID 121204586) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-chloro-N,N-dipropylbutanamide.

Molecular Properties

Compound Name2-chloro-N,N-dipropylbutanamide
PubChem CID121204586
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-chloro-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)C(Cl)CC
InChIInChI=1S/C10H20ClNO/c1-4-7-12(8-5-2)10(13)9(11)6-3/h9H,4-8H2,1-3H3
InChIKeyKDACUHDGEOFCAI-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N,N-dipropylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
N-(2-aminoethyl)-2-ethyl-N-propylbutanamide
CID 61349350
2-chloro-N,N-diethylpentanamide
CID 62224091
(2S)-2-amino-N-(2-hydroxyethyl)-N-propylbutanamide
CID 79024351
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
2,2-dichloro-N-propyl-N-prop-2-ynylacetamide
CID 13324355
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
(2S)-2-amino-N-ethyl-N-propylbutanamide
CID 79025011
N-(2-bromoethyl)-2-methyl-N-propylpropanamide
CID 80660221
2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 103513896
2,2-dichloro-N,N-dihexylacetamide
CID 533320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dipropylbutanamide?
The IUPAC name of 2-chloro-N,N-dipropylbutanamide (CID 121204586) is 2-chloro-N,N-dipropylbutanamide.
What is the SMILES notation for 2-chloro-N,N-dipropylbutanamide?
The canonical SMILES for 2-chloro-N,N-dipropylbutanamide is CCCN(CCC)C(=O)C(Cl)CC.
What is the InChIKey of 2-chloro-N,N-dipropylbutanamide?
The InChIKey is KDACUHDGEOFCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-4-7-12(8-5-2)10(13)9(11)6-3/h9H,4-8H2,1-3H3.
What are the key properties of 2-chloro-N,N-dipropylbutanamide?
2-chloro-N,N-dipropylbutanamide has a molecular weight of 205.73 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dipropylbutanamide is sourced from PubChem (CID 121204586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).