N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide

C15H15ClN2O3 — CID 4221258

IUPACN-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CCCl)ccc1NC(=O)c1ccco1
InChIInChI=1S/C15H15ClN2O3/c1-10-9-11(17-14(19)6-7-16)4-5-12(10)18-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyLRTXXHMOJDWRFV-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.41
Rot. Bonds5

About N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide

N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide (PubChem CID 4221258) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
PubChem CID4221258
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)CCCl)ccc1NC(=O)c1ccco1
InChIInChI=1S/C15H15ClN2O3/c1-10-9-11(17-14(19)6-7-16)4-5-12(10)18-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20)
InChIKeyLRTXXHMOJDWRFV-UHFFFAOYSA-N
XLogP3.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-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-[4-(4-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119300225
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
N-[4-(3-aminobutanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 119743182
N-[2-methyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 131908546
N-[4-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 131924223
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[2-methyl-4-[(3-methylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 122132677
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[4-[(2-fluoro-6-methylbenzoyl)amino]-2-methylphenyl]furan-2-carboxamide
CID 131889577
5-(dimethylsulfamoyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 154858775

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide (CID 4221258) is N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide is Cc1cc(NC(=O)CCCl)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is LRTXXHMOJDWRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10-9-11(17-14(19)6-7-16)4-5-12(10)18-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide?
N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 4221258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).