N,N-dibutyl-2-chloropropanamide

C11H22ClNO — CID 533079

IUPACN,N-dibutyl-2-chloropropanamide
SMILESCCCCN(CCCC)C(=O)C(C)Cl
InChIInChI=1S/C11H22ClNO/c1-4-6-8-13(9-7-5-2)11(14)10(3)12/h10H,4-9H2,1-3H3
InChIKeyAMBSMXGFOZRXNX-UHFFFAOYSA-N
MW219.76 g/mol
LogP3.04
Rot. Bonds7

About N,N-dibutyl-2-chloropropanamide

N,N-dibutyl-2-chloropropanamide (PubChem CID 533079) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N,N-dibutyl-2-chloropropanamide.

Molecular Properties

Compound NameN,N-dibutyl-2-chloropropanamide
PubChem CID533079
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN,N-dibutyl-2-chloropropanamide
SMILESCCCCN(CCCC)C(=O)C(C)Cl
InChIInChI=1S/C11H22ClNO/c1-4-6-8-13(9-7-5-2)11(14)10(3)12/h10H,4-9H2,1-3H3
InChIKeyAMBSMXGFOZRXNX-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,N-bis(propan-2-yl)acetamide
CID 139013
N,N-Dibutyl-2-chloroacetamide
CID 222374
2-chloro-N,N-dipropylacetamide
CID 219647
Propanamide, 2-chloro-N,N-diethyl-
CID 41046
Acetamide, N,N-dibutyl-2,2-dichloro-
CID 94820
2-Chloro-1-(piperidin-1-yl)propan-1-one
CID 3282976
Acetamide, 2,2-dichloro-N,N-dipropyl-
CID 96076
2-Chloro-n,n-dipentylacetamide
CID 222384
2-chloro-N,N-bis(3-methylbutyl)acetamide
CID 2386089
3-chloro-N,N-diethylpropanamide
CID 5210698
2-chloro-N,N-bis(propan-2-yl)propanamide
CID 13345096
1-(Azepan-1-yl)-2-chloropropan-1-one
CID 14209027

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-chloropropanamide?
The IUPAC name of N,N-dibutyl-2-chloropropanamide (CID 533079) is N,N-dibutyl-2-chloropropanamide.
What is the SMILES notation for N,N-dibutyl-2-chloropropanamide?
The canonical SMILES for N,N-dibutyl-2-chloropropanamide is CCCCN(CCCC)C(=O)C(C)Cl.
What is the InChIKey of N,N-dibutyl-2-chloropropanamide?
The InChIKey is AMBSMXGFOZRXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-4-6-8-13(9-7-5-2)11(14)10(3)12/h10H,4-9H2,1-3H3.
What are the key properties of N,N-dibutyl-2-chloropropanamide?
N,N-dibutyl-2-chloropropanamide has a molecular weight of 219.76 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-chloropropanamide is sourced from PubChem (CID 533079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).