N-ethyl-N-heptylcarbamoyl chloride

C10H20ClNO — CID 54088699

IUPACN-ethyl-N-heptylcarbamoyl chloride
SMILESCCCCCCCN(CC)C(=O)Cl
InChIInChI=1S/C10H20ClNO/c1-3-5-6-7-8-9-12(4-2)10(11)13/h3-9H2,1-2H3
InChIKeyMSIHGQRTJGIDRH-UHFFFAOYSA-N
MW205.73 g/mol
LogP3.64
Rot. Bonds7

About N-ethyl-N-heptylcarbamoyl chloride

N-ethyl-N-heptylcarbamoyl chloride (PubChem CID 54088699) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-ethyl-N-heptylcarbamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-heptylcarbamoyl chloride
PubChem CID54088699
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-ethyl-N-heptylcarbamoyl chloride
SMILESCCCCCCCN(CC)C(=O)Cl
InChIInChI=1S/C10H20ClNO/c1-3-5-6-7-8-9-12(4-2)10(11)13/h3-9H2,1-2H3
InChIKeyMSIHGQRTJGIDRH-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N-heptylcarbamoyl 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

Dibutylcarbamoyl chloride
CID 83371
N,N-dioctadecylcarbamoyl chloride
CID 3016265
Dihexadecylcarbamyl chloride
CID 20231454
Cyclohexylethylcarbamoyl chloride
CID 11332952
Carbamic chloride, 1,6-hexanediylbis(methyl-
CID 14423477
Methyl(pentyl)carbamyl chloride
CID 15209943
2,6-Dimethylpiperidine-1-carbonyl chloride
CID 19070661
2-Ethylpiperidine-1-carbonyl chloride
CID 79001866
rac-(2R,6S)-2,6-dimethylpiperidine-1-carbonyl chloride
CID 94968704
N-ethyl-N-heptylformamide
CID 14151223
Methyl(octyl)carbamic chloride
CID 15209944
N-heptyl-N-methylcarbamoyl chloride
CID 21736985

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-heptylcarbamoyl chloride?
The IUPAC name of N-ethyl-N-heptylcarbamoyl chloride (CID 54088699) is N-ethyl-N-heptylcarbamoyl chloride.
What is the SMILES notation for N-ethyl-N-heptylcarbamoyl chloride?
The canonical SMILES for N-ethyl-N-heptylcarbamoyl chloride is CCCCCCCN(CC)C(=O)Cl.
What is the InChIKey of N-ethyl-N-heptylcarbamoyl chloride?
The InChIKey is MSIHGQRTJGIDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-5-6-7-8-9-12(4-2)10(11)13/h3-9H2,1-2H3.
What are the key properties of N-ethyl-N-heptylcarbamoyl chloride?
N-ethyl-N-heptylcarbamoyl chloride has a molecular weight of 205.73 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-heptylcarbamoyl chloride is sourced from PubChem (CID 54088699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).