N,N-dipropylcarbamoyl chloride

C7H14ClNO — CID 3015348

IUPACN,N-dipropylcarbamoyl chloride
SMILESCCCN(CCC)C(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3
InChIKeyOWRABTHGOKNUDV-UHFFFAOYSA-N
MW163.65 g/mol
LogP2.47
Rot. Bonds4

About N,N-dipropylcarbamoyl chloride

N,N-dipropylcarbamoyl chloride (PubChem CID 3015348) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N,N-dipropylcarbamoyl chloride.

Molecular Properties

Compound NameN,N-dipropylcarbamoyl chloride
PubChem CID3015348
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN,N-dipropylcarbamoyl chloride
SMILESCCCN(CCC)C(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3
InChIKeyOWRABTHGOKNUDV-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N,N-dipropylcarbamoyl chloride 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

Diethylcarbamoyl chloride
CID 6916
Dibutylcarbamoyl chloride
CID 83371
N-Ethyl-N-methylcarbamoyl chloride
CID 11240471
Diisopropylcarbamoyl chloride
CID 87890
Di-sec-butylcarbamoyl chloride
CID 3015862
N-ethyl-N-(propan-2-yl)carbamoyl chloride
CID 21185221
N-butyl-N-methylcarbamoyl chloride
CID 14673135
N-methyl-N-propylcarbamoyl chloride
CID 15040338
Methyl(pentyl)carbamyl chloride
CID 15209943
N-butyl-N-ethylcarbamoyl chloride
CID 15338770
N-cyclopropyl-N-ethylcarbamoyl chloride
CID 19070648
N-ethyl-N-propylcarbamoyl chloride
CID 19707987

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylcarbamoyl chloride?
The IUPAC name of N,N-dipropylcarbamoyl chloride (CID 3015348) is N,N-dipropylcarbamoyl chloride.
What is the SMILES notation for N,N-dipropylcarbamoyl chloride?
The canonical SMILES for N,N-dipropylcarbamoyl chloride is CCCN(CCC)C(=O)Cl.
What is the InChIKey of N,N-dipropylcarbamoyl chloride?
The InChIKey is OWRABTHGOKNUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-3-5-9(6-4-2)7(8)10/h3-6H2,1-2H3.
What are the key properties of N,N-dipropylcarbamoyl chloride?
N,N-dipropylcarbamoyl chloride has a molecular weight of 163.65 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylcarbamoyl chloride is sourced from PubChem (CID 3015348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).