N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide

C17H18ClN3O3 — CID 119453527

IUPACN-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC1CCNC1
InChIInChI=1S/C17H18ClN3O3/c1-10-13(5-7-24-10)16(22)21-15-8-11(18)2-3-14(15)17(23)20-12-4-6-19-9-12/h2-3,5,7-8,12,19H,4,6,9H2,1H3,(H,20,23)(H,21,22)
InChIKeySXUXHZMOPJFKIH-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.59
Rot. Bonds4

About N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide

N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 119453527) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID119453527
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC1CCNC1
InChIInChI=1S/C17H18ClN3O3/c1-10-13(5-7-24-10)16(22)21-15-8-11(18)2-3-14(15)17(23)20-12-4-6-19-9-12/h2-3,5,7-8,12,19H,4,6,9H2,1H3,(H,20,23)(H,21,22)
InChIKeySXUXHZMOPJFKIH-UHFFFAOYSA-N
XLogP2.59
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-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

2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N-[5-chloro-2-(3-methylpiperazine-1-carbonyl)phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119580097
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
CID 119546274
N-[5-chloro-2-[2-(ethylamino)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119508711
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119629869
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
3-[2-[[4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoyl]amino]ethyldisulfanyl]propanoic acid
CID 166422677
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide (CID 119453527) is N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)NC1CCNC1.
What is the InChIKey of N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is SXUXHZMOPJFKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-10-13(5-7-24-10)16(22)21-15-8-11(18)2-3-14(15)17(23)20-12-4-6-19-9-12/h2-3,5,7-8,12,19H,4,6,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide?
N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(pyrrolidin-3-ylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 119453527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).