(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide

C18H21ClN2O — CID 8517313

IUPAC(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-13-7-9-15(10-8-13)12-21(3)14(2)18(22)20-17-6-4-5-16(19)11-17/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyOZSWYFFFFQSSBR-AWEZNQCLSA-N
MW316.83 g/mol
LogP4.11
Rot. Bonds5

About (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide

(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 8517313) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID8517313
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-13-7-9-15(10-8-13)12-21(3)14(2)18(22)20-17-6-4-5-16(19)11-17/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m0/s1
InChIKeyOZSWYFFFFQSSBR-AWEZNQCLSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
N-(3-chlorophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 17436769
2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094062
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
N-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 51167371
(2R)-N-(3-chlorophenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126384834
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(3-chlorophenyl)acetamide
CID 113161859
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 46561693
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 42893690

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide (CID 8517313) is (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide is Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is OZSWYFFFFQSSBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-7-9-15(10-8-13)12-21(3)14(2)18(22)20-17-6-4-5-16(19)11-17/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide?
(2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 8517313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).