N-ethyl-N-propylcarbamoyl chloride

C6H12ClNO — CID 19707987

IUPACN-ethyl-N-propylcarbamoyl chloride
SMILESCCCN(CC)C(=O)Cl
InChIInChI=1S/C6H12ClNO/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3
InChIKeyZTBGJRUHDDPDEK-UHFFFAOYSA-N
MW149.62 g/mol
LogP2.08
Rot. Bonds3

About N-ethyl-N-propylcarbamoyl chloride

N-ethyl-N-propylcarbamoyl chloride (PubChem CID 19707987) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-ethyl-N-propylcarbamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-propylcarbamoyl chloride
PubChem CID19707987
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-ethyl-N-propylcarbamoyl chloride
SMILESCCCN(CC)C(=O)Cl
InChIInChI=1S/C6H12ClNO/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3
InChIKeyZTBGJRUHDDPDEK-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.08
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'}

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Related Compounds

Diethylcarbamoyl chloride
CID 6916
Dibutylcarbamoyl chloride
CID 83371
N-Ethyl-N-methylcarbamoyl chloride
CID 11240471
Diisopropylcarbamoyl chloride
CID 87890
Dipropylcarbamoyl chloride
CID 3015348
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylcarbamoyl chloride?
The IUPAC name of N-ethyl-N-propylcarbamoyl chloride (CID 19707987) is N-ethyl-N-propylcarbamoyl chloride.
What is the SMILES notation for N-ethyl-N-propylcarbamoyl chloride?
The canonical SMILES for N-ethyl-N-propylcarbamoyl chloride is CCCN(CC)C(=O)Cl.
What is the InChIKey of N-ethyl-N-propylcarbamoyl chloride?
The InChIKey is ZTBGJRUHDDPDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-3-5-8(4-2)6(7)9/h3-5H2,1-2H3.
What are the key properties of N-ethyl-N-propylcarbamoyl chloride?
N-ethyl-N-propylcarbamoyl chloride has a molecular weight of 149.62 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylcarbamoyl chloride is sourced from PubChem (CID 19707987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).