N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide

C23H21ClN4O4 — CID 55729289

IUPACN-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H21ClN4O4/c24-14-7-10-18(19(12-14)28-23(31)20-6-3-11-32-20)25-13-21(29)27-17-5-2-1-4-16(17)22(30)26-15-8-9-15/h1-7,10-12,15,25H,8-9,13H2,(H,26,30)(H,27,29)(H,28,31)
InChIKeyNQYZRXFZJPMNLQ-UHFFFAOYSA-N
MW452.90 g/mol
LogP4.13
Rot. Bonds8

About N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 55729289) has the molecular formula C23H21ClN4O4 and a molecular weight of 452.90 g/mol. Its IUPAC name is N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID55729289
Molecular FormulaC23H21ClN4O4
Molecular Weight452.90 g/mol
Exact Mass452.13
IUPAC NameN-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C23H21ClN4O4/c24-14-7-10-18(19(12-14)28-23(31)20-6-3-11-32-20)25-13-21(29)27-17-5-2-1-4-16(17)22(30)26-15-8-9-15/h1-7,10-12,15,25H,8-9,13H2,(H,26,30)(H,27,29)(H,28,31)
InChIKeyNQYZRXFZJPMNLQ-UHFFFAOYSA-N
XLogP4.13
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 60537038
N-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 9451738
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 55917777
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-cyclopentyl-2-[[2-(2,5-difluoroanilino)acetyl]amino]benzamide
CID 33162764
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 7813805
2-[[2-(2-chloro-4,6-dimethylanilino)acetyl]amino]-N-cyclopropylbenzamide
CID 42125339
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 55729289) is N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide is O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is NQYZRXFZJPMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4/c24-14-7-10-18(19(12-14)28-23(31)20-6-3-11-32-20)25-13-21(29)27-17-5-2-1-4-16(17)22(30)26-15-8-9-15/h1-7,10-12,15,25H,8-9,13H2,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 452.90 g/mol, XLogP of 4.13, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55729289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).