(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide

C18H21ClN2O2 — CID 7928705

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
SMILESCCc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O2/c1-4-13-5-8-15(9-6-13)20-12(2)18(22)21-16-11-14(19)7-10-17(16)23-3/h5-12,20H,4H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeySTWUSJYURGTCMQ-GFCCVEGCSA-N
MW332.83 g/mol
LogP4.35
Rot. Bonds6

About (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide (PubChem CID 7928705) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
PubChem CID7928705
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
SMILESCCc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O2/c1-4-13-5-8-15(9-6-13)20-12(2)18(22)21-16-11-14(19)7-10-17(16)23-3/h5-12,20H,4H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeySTWUSJYURGTCMQ-GFCCVEGCSA-N
XLogP4.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 2606991
4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 25355176
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
CID 8861848
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
1-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142084
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide
CID 34299749
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)propanamide
CID 55382016
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7235578
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide (CID 7928705) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide is CCc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide?
The InChIKey is STWUSJYURGTCMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-4-13-5-8-15(9-6-13)20-12(2)18(22)21-16-11-14(19)7-10-17(16)23-3/h5-12,20H,4H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide has a molecular weight of 332.83 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide is sourced from PubChem (CID 7928705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).