N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

C20H23ClN2O2 — CID 112823548

IUPACN-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C(C)NC(=O)c1cccc(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-4-23(13-17-9-5-6-11-18(17)21)20(25)15(3)22-19(24)16-10-7-8-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,22,24)
InChIKeyKRAHYZKMSPSZGY-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.82
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 112823548) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID112823548
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C(C)NC(=O)c1cccc(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-4-23(13-17-9-5-6-11-18(17)21)20(25)15(3)22-19(24)16-10-7-8-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,22,24)
InChIKeyKRAHYZKMSPSZGY-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
N-[(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55935786
N-[(2S)-1-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 8012515
N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
CID 4274954
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 9179483
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 112790282
N-(1-chloro-3-methylbutan-2-yl)-3-methylbenzamide
CID 114305541
N-[1-[(5-chlorothiophen-2-yl)methyl-ethylamino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51177345
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3,3-dimethylbutanamide
CID 103929207

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 112823548) is N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide is CCN(Cc1ccccc1Cl)C(=O)C(C)NC(=O)c1cccc(C)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is KRAHYZKMSPSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-23(13-17-9-5-6-11-18(17)21)20(25)15(3)22-19(24)16-10-7-8-14(2)12-16/h5-12,15H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 358.87 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 112823548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).