prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate

C13H15ClN2O3 — CID 108571431

IUPACprop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c1-2-8-19-13(18)16-7-6-15-12(17)10-4-3-5-11(14)9-10/h2-5,9H,1,6-8H2,(H,15,17)(H,16,18)
InChIKeyDNMBOSCWONOWSJ-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.98
Rot. Bonds6

About prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate

prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate (PubChem CID 108571431) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate
PubChem CID108571431
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Nameprop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c1-2-8-19-13(18)16-7-6-15-12(17)10-4-3-5-11(14)9-10/h2-5,9H,1,6-8H2,(H,15,17)(H,16,18)
InChIKeyDNMBOSCWONOWSJ-UHFFFAOYSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate 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

3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
CID 108570849
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
N-[(Z)-3-aminopent-3-enyl]-3-chlorobenzamide
CID 118524324
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
prop-2-enyl (3R)-3-[(3-chlorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 129047500
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
2-[(3-chlorobenzoyl)amino]ethyl-dimethylazanium chloride
CID 18531817
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate (CID 108571431) is prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate is C=CCOC(=O)NCCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate?
The InChIKey is DNMBOSCWONOWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-2-8-19-13(18)16-7-6-15-12(17)10-4-3-5-11(14)9-10/h2-5,9H,1,6-8H2,(H,15,17)(H,16,18).
What are the key properties of prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate?
prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate has a molecular weight of 282.73 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108571431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).