N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide

C20H18ClN3O5 — CID 648612

IUPACN-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O5/c1-27-17-11-15(24-20(26)22-13-6-3-5-12(21)9-13)18(28-2)10-14(17)23-19(25)16-7-4-8-29-16/h3-11H,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyAYDOMLISQSHOJU-UHFFFAOYSA-N
MW415.83 g/mol
LogP4.85
Rot. Bonds6

About N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide

N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide (PubChem CID 648612) has the molecular formula C20H18ClN3O5 and a molecular weight of 415.83 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
PubChem CID648612
Molecular FormulaC20H18ClN3O5
Molecular Weight415.83 g/mol
Exact Mass415.09
IUPAC NameN-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O5/c1-27-17-11-15(24-20(26)22-13-6-3-5-12(21)9-13)18(28-2)10-14(17)23-19(25)16-7-4-8-29-16/h3-11H,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyAYDOMLISQSHOJU-UHFFFAOYSA-N
XLogP4.85
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19187598
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
CID 3173116
1-(3-chlorophenyl)-3-[4-[[4-[(3-chlorophenyl)carbamoylamino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]urea
CID 2252121
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1047583
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047
N-[3-[1-(5-chloro-2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904419
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 60537038
N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 2237008
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 2989497
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide (CID 648612) is N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide?
The InChIKey is AYDOMLISQSHOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O5/c1-27-17-11-15(24-20(26)22-13-6-3-5-12(21)9-13)18(28-2)10-14(17)23-19(25)16-7-4-8-29-16/h3-11H,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide?
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide has a molecular weight of 415.83 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 648612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).