N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C23H21Cl2N3O4 — CID 85481980

IUPACN-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C23H21Cl2N3O4/c1-28(14-21(29)26-16-9-10-17(24)18(25)13-16)23(31)19(12-15-6-3-2-4-7-15)27-22(30)20-8-5-11-32-20/h2-11,13,19H,12,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyYJFYNVXSVHIAJF-UHFFFAOYSA-N
MW474.34 g/mol
LogP4.02
Rot. Bonds8

About N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 85481980) has the molecular formula C23H21Cl2N3O4 and a molecular weight of 474.34 g/mol. Its IUPAC name is N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID85481980
Molecular FormulaC23H21Cl2N3O4
Molecular Weight474.34 g/mol
Exact Mass473.09
IUPAC NameN-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C23H21Cl2N3O4/c1-28(14-21(29)26-16-9-10-17(24)18(25)13-16)23(31)19(12-15-6-3-2-4-7-15)27-22(30)20-8-5-11-32-20/h2-11,13,19H,12,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyYJFYNVXSVHIAJF-UHFFFAOYSA-N
XLogP4.02
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112792526
N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31305744
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934895
N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46600099
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920
N-[1-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42891198
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 167896219
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112817410

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 85481980) is N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is YJFYNVXSVHIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O4/c1-28(14-21(29)26-16-9-10-17(24)18(25)13-16)23(31)19(12-15-6-3-2-4-7-15)27-22(30)20-8-5-11-32-20/h2-11,13,19H,12,14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 474.34 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 85481980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).