N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C23H23ClN2O3 — CID 112817410

IUPACN-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C23H23ClN2O3/c1-2-26(16-18-11-6-7-12-19(18)24)23(28)20(15-17-9-4-3-5-10-17)25-22(27)21-13-8-14-29-21/h3-14,20H,2,15-16H2,1H3,(H,25,27)
InChIKeyURQZXSQZVWCAOV-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.32
Rot. Bonds8

About N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 112817410) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID112817410
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC NameN-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C23H23ClN2O3/c1-2-26(16-18-11-6-7-12-19(18)24)23(28)20(15-17-9-4-3-5-10-17)25-22(27)21-13-8-14-29-21/h3-14,20H,2,15-16H2,1H3,(H,25,27)
InChIKeyURQZXSQZVWCAOV-UHFFFAOYSA-N
XLogP4.32
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55361191
N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112792526
N-[(2S)-1-[(4-ethylphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31234949
N-[1-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 4881698
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[1-[cyanomethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934895
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 112817410) is N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CCN(Cc1ccccc1Cl)C(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is URQZXSQZVWCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-2-26(16-18-11-6-7-12-19(18)24)23(28)20(15-17-9-4-3-5-10-17)25-22(27)21-13-8-14-29-21/h3-14,20H,2,15-16H2,1H3,(H,25,27).
What are the key properties of N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 112817410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).