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

C22H20Cl2N2O3 — CID 112792526

IUPACN-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C22H20Cl2N2O3/c1-26(14-16-9-10-17(23)18(24)12-16)22(28)19(13-15-6-3-2-4-7-15)25-21(27)20-8-5-11-29-20/h2-12,19H,13-14H2,1H3,(H,25,27)
InChIKeyUKHOGAYYAUYTKE-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.59
Rot. Bonds7

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

N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 112792526) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID112792526
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C22H20Cl2N2O3/c1-26(14-16-9-10-17(23)18(24)12-16)22(28)19(13-15-6-3-2-4-7-15)25-21(27)20-8-5-11-29-20/h2-12,19H,13-14H2,1H3,(H,25,27)
InChIKeyUKHOGAYYAUYTKE-UHFFFAOYSA-N
XLogP4.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980
N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934895
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112817410
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24545173
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55361191
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 112792526) is N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is UKHOGAYYAUYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-26(14-16-9-10-17(23)18(24)12-16)22(28)19(13-15-6-3-2-4-7-15)25-21(27)20-8-5-11-29-20/h2-12,19H,13-14H2,1H3,(H,25,27).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 112792526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).