(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate

C15H14ClNO4 — CID 46796022

IUPAC(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1ccco1)OCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO4/c16-12-5-2-1-4-11(12)10-21-14(18)7-8-17-15(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyIGTDIULGEJBXJQ-UHFFFAOYSA-N
MW307.73 g/mol
LogP2.80
Rot. Bonds6

About (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate

(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate (PubChem CID 46796022) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
PubChem CID46796022
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1ccco1)OCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO4/c16-12-5-2-1-4-11(12)10-21-14(18)7-8-17-15(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2,(H,17,19)
InChIKeyIGTDIULGEJBXJQ-UHFFFAOYSA-N
XLogP2.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate 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

(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
CID 55369171
(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 7629639
methyl 5-[3-(furan-2-carbonylamino)propanoyloxymethyl]furan-2-carboxylate
CID 7909054
N'-[3-(2-chlorophenyl)propanoyl]furan-2-carbohydrazide
CID 29436828
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[2-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111174405
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55326477
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7908965
N-[2-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111173913
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 17194361
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate (CID 46796022) is (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate is O=C(CCNC(=O)c1ccco1)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate?
The InChIKey is IGTDIULGEJBXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c16-12-5-2-1-4-11(12)10-21-14(18)7-8-17-15(19)13-6-3-9-20-13/h1-6,9H,7-8,10H2,(H,17,19).
What are the key properties of (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate?
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate has a molecular weight of 307.73 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 46796022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).