N-(2-chloroethyl)-N-cyclopropylbutanamide

C9H16ClNO — CID 63394479

IUPACN-(2-chloroethyl)-N-cyclopropylbutanamide
SMILESCCCC(=O)N(CCCl)C1CC1
InChIInChI=1S/C9H16ClNO/c1-2-3-9(12)11(7-6-10)8-4-5-8/h8H,2-7H2,1H3
InChIKeyMLINOVNOMXMLKH-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.02
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropylbutanamide

N-(2-chloroethyl)-N-cyclopropylbutanamide (PubChem CID 63394479) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropylbutanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropylbutanamide
PubChem CID63394479
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(2-chloroethyl)-N-cyclopropylbutanamide
SMILESCCCC(=O)N(CCCl)C1CC1
InChIInChI=1S/C9H16ClNO/c1-2-3-9(12)11(7-6-10)8-4-5-8/h8H,2-7H2,1H3
InChIKeyMLINOVNOMXMLKH-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.02
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

N-(3-chloropropyl)-N-cyclobutylbutanamide
CID 102872148
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
CID 63394667
N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
3-chloro-N-cyclopentyl-N-ethylpropanamide
CID 43541097
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
CID 102872541

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropylbutanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropylbutanamide (CID 63394479) is N-(2-chloroethyl)-N-cyclopropylbutanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropylbutanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropylbutanamide is CCCC(=O)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropylbutanamide?
The InChIKey is MLINOVNOMXMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-2-3-9(12)11(7-6-10)8-4-5-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropylbutanamide?
N-(2-chloroethyl)-N-cyclopropylbutanamide has a molecular weight of 189.69 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropylbutanamide is sourced from PubChem (CID 63394479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).