4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide

C11H20ClNO — CID 63309359

IUPAC4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide
SMILESCCCN(CC1CC1)C(=O)CCCCl
InChIInChI=1S/C11H20ClNO/c1-2-8-13(9-10-5-6-10)11(14)4-3-7-12/h10H,2-9H2,1H3
InChIKeyKHBXFCGHCLNABE-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.65
Rot. Bonds7

About 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide

4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide (PubChem CID 63309359) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide
PubChem CID63309359
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide
SMILESCCCN(CC1CC1)C(=O)CCCCl
InChIInChI=1S/C11H20ClNO/c1-2-8-13(9-10-5-6-10)11(14)4-3-7-12/h10H,2-9H2,1H3
InChIKeyKHBXFCGHCLNABE-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.65
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

Propanamide, N,N-dibutyl-3-chloro-
CID 533190
2-chloro-N-(cyclopropylmethyl)-N-propylacetamide
CID 2384361
Hexanamide, 6-chloro-N-ethyl-N-isobutyl-
CID 91693797
4-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 63308002
4-chloro-N,N-diisobutyl-butyramide
CID 5169445
5-chloro-N,N-dipropylpentanamide
CID 28733317
N-butan-2-yl-N-butyl-4-chlorobutanamide
CID 60660006
N-butan-2-yl-4-chloro-N-methylbutanamide
CID 63308987
N-butan-2-yl-4-chloro-N-ethylbutanamide
CID 63308989
4-Chloro-N,N-diethyl-butyramide
CID 2434869
N,N-dibutyl-4-chlorobutanamide
CID 3531291
4-chloro-N,N-di(propan-2-yl)butanamide
CID 11790362

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide (CID 63309359) is 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide is CCCN(CC1CC1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide?
The InChIKey is KHBXFCGHCLNABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-2-8-13(9-10-5-6-10)11(14)4-3-7-12/h10H,2-9H2,1H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide?
4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide has a molecular weight of 217.74 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-N-propylbutanamide is sourced from PubChem (CID 63309359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).