N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

C20H17ClN2O3 — CID 1120897

IUPACN-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H17ClN2O3/c1-13-7-9-14(10-8-13)18(24)19(22-16-5-2-4-15(21)12-16)23-20(25)17-6-3-11-26-17/h2-12,19,22H,1H3,(H,23,25)/t19-/m0/s1
InChIKeyQRZBWCUHTKKBNY-IBGZPJMESA-N
MW368.82 g/mol
LogP4.29
Rot. Bonds6

About N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 1120897) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID1120897
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H17ClN2O3/c1-13-7-9-14(10-8-13)18(24)19(22-16-5-2-4-15(21)12-16)23-20(25)17-6-3-11-26-17/h2-12,19,22H,1H3,(H,23,25)/t19-/m0/s1
InChIKeyQRZBWCUHTKKBNY-IBGZPJMESA-N
XLogP4.29
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984730
N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892418
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 7116359
N-[(1S)-1-(3-chloro-4-methoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120893
N-[(1R)-1-(3-chloro-4-methoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120894
N-[1-(3-chloro-2-methylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892617
N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348306
N-[(1S)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348307
N-[(1S)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 985155
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984908
N-[(1S)-1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 7024999
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide (CID 1120897) is N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide is Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is QRZBWCUHTKKBNY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-13-7-9-14(10-8-13)18(24)19(22-16-5-2-4-15(21)12-16)23-20(25)17-6-3-11-26-17/h2-12,19,22H,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 1120897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).