3-chloro-N-propan-2-yl-N-propylpropanamide

C9H18ClNO — CID 43269467

IUPAC3-chloro-N-propan-2-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCCl)C(C)C
InChIInChI=1S/C9H18ClNO/c1-4-7-11(8(2)3)9(12)5-6-10/h8H,4-7H2,1-3H3
InChIKeyRCUJEQPNFKRCHB-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.26
Rot. Bonds5

About 3-chloro-N-propan-2-yl-N-propylpropanamide

3-chloro-N-propan-2-yl-N-propylpropanamide (PubChem CID 43269467) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-chloro-N-propan-2-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-chloro-N-propan-2-yl-N-propylpropanamide
PubChem CID43269467
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-chloro-N-propan-2-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCCl)C(C)C
InChIInChI=1S/C9H18ClNO/c1-4-7-11(8(2)3)9(12)5-6-10/h8H,4-7H2,1-3H3
InChIKeyRCUJEQPNFKRCHB-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.26
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

3-amino-N-propan-2-yl-N-propylpropanamide
CID 43269470
6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620
2-ethoxy-N-propan-2-yl-N-propylacetamide
CID 64590968
2-cyano-N-propan-2-yl-N-propylacetamide
CID 43269670
N-(3-aminopropyl)-N-propan-2-ylbutanamide
CID 43136655
N-(3-bromopropyl)-N-propan-2-ylbutanamide
CID 80662184
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 63393802
N-(2-bromoethyl)-N-propan-2-ylnonanamide
CID 80665371
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
2-(2-aminoethoxy)-N-propan-2-yl-N-propylacetamide
CID 79479983
2-chloro-N-(4-methylhexan-2-yl)-N-propylacetamide
CID 143383896

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-yl-N-propylpropanamide?
The IUPAC name of 3-chloro-N-propan-2-yl-N-propylpropanamide (CID 43269467) is 3-chloro-N-propan-2-yl-N-propylpropanamide.
What is the SMILES notation for 3-chloro-N-propan-2-yl-N-propylpropanamide?
The canonical SMILES for 3-chloro-N-propan-2-yl-N-propylpropanamide is CCCN(C(=O)CCCl)C(C)C.
What is the InChIKey of 3-chloro-N-propan-2-yl-N-propylpropanamide?
The InChIKey is RCUJEQPNFKRCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-4-7-11(8(2)3)9(12)5-6-10/h8H,4-7H2,1-3H3.
What are the key properties of 3-chloro-N-propan-2-yl-N-propylpropanamide?
3-chloro-N-propan-2-yl-N-propylpropanamide has a molecular weight of 191.70 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propan-2-yl-N-propylpropanamide is sourced from PubChem (CID 43269467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).