N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide

C14H14ClN3O3 — CID 106999665

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C14H14ClN3O3/c15-12-10(5-8-21-12)14(20)18-11-4-2-1-3-9(11)13(19)17-7-6-16/h1-5,8H,6-7,16H2,(H,17,19)(H,18,20)
InChIKeyRRZJLZSQJYFBEF-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide (PubChem CID 106999665) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
PubChem CID106999665
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
SMILESNCCNC(=O)c1ccccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C14H14ClN3O3/c15-12-10(5-8-21-12)14(20)18-11-4-2-1-3-9(11)13(19)17-7-6-16/h1-5,8H,6-7,16H2,(H,17,19)(H,18,20)
InChIKeyRRZJLZSQJYFBEF-UHFFFAOYSA-N
XLogP1.87
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide 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

N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106688746
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-imidazole-5-carboxamide
CID 107000042
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 120604390
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide (CID 106999665) is N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide is NCCNC(=O)c1ccccc1NC(=O)c1ccoc1Cl.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide?
The InChIKey is RRZJLZSQJYFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-12-10(5-8-21-12)14(20)18-11-4-2-1-3-9(11)13(19)17-7-6-16/h1-5,8H,6-7,16H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106999665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).