(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide

C17H19ClN2O2 — CID 97238718

IUPAC(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
SMILESCOc1cccc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O2/c1-17(16(19)21,13-6-4-7-14(18)10-13)20-11-12-5-3-8-15(9-12)22-2/h3-10,20H,11H2,1-2H3,(H2,19,21)/t17-/m1/s1
InChIKeyATNOHHMTGCSPDR-QGZVFWFLSA-N
MW318.80 g/mol
LogP2.84
Rot. Bonds6

About (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide

(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide (PubChem CID 97238718) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
PubChem CID97238718
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide
SMILESCOc1cccc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O2/c1-17(16(19)21,13-6-4-7-14(18)10-13)20-11-12-5-3-8-15(9-12)22-2/h3-10,20H,11H2,1-2H3,(H2,19,21)/t17-/m1/s1
InChIKeyATNOHHMTGCSPDR-QGZVFWFLSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(3-chlorophenyl)propanamide
CID 60996285
2-(3-chlorophenyl)-2-[(4-methoxy-2-pyridinyl)methylamino]propanamide
CID 75520512
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 71862052
2-(3-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 75482912
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
(2S)-2-(3-chlorophenyl)-2-[(5-chlorothiadiazol-4-yl)methylamino]propanamide
CID 97088815
(2S)-2-(but-3-enylamino)-2-(3-chlorophenyl)propanamide
CID 97020992
2-(2-chloroanilino)-2-(3-methoxyphenyl)propanamide
CID 60996698
1-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026569
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide (CID 97238718) is (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide is COc1cccc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide?
The InChIKey is ATNOHHMTGCSPDR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-17(16(19)21,13-6-4-7-14(18)10-13)20-11-12-5-3-8-15(9-12)22-2/h3-10,20H,11H2,1-2H3,(H2,19,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide?
(2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide has a molecular weight of 318.80 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 97238718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).