(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide

C17H18ClN3O2 — CID 40571584

IUPAC(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1/C=N\NC(=O)[C@H](C)Nc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-12(20-15-8-5-7-14(18)10-15)17(22)21-19-11-13-6-3-4-9-16(13)23-2/h3-12,20H,1-2H3,(H,21,22)/b19-11-/t12-/m0/s1
InChIKeyQWLGEXQAPBCLSH-XHEYCZLTSA-N
MW331.80 g/mol
LogP3.30
Rot. Bonds6

About (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide

(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide (PubChem CID 40571584) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
PubChem CID40571584
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1/C=N\NC(=O)[C@H](C)Nc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-12(20-15-8-5-7-14(18)10-15)17(22)21-19-11-13-6-3-4-9-16(13)23-2/h3-12,20H,1-2H3,(H,21,22)/b19-11-/t12-/m0/s1
InChIKeyQWLGEXQAPBCLSH-XHEYCZLTSA-N
XLogP3.30
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
CID 5212708
(2S)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 136851962
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 135607119
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
(2R)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 136858303
(2S)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 135688928
2-(3-chloroanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135719968
(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 5397493
(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide
CID 5498491
2-(3-chloroanilino)-N-(naphthalen-2-ylmethylideneamino)propanamide
CID 3917683
(2S)-2-(3-chloroanilino)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]propanamide
CID 722446
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide (CID 40571584) is (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide is COc1ccccc1/C=N\NC(=O)[C@H](C)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is QWLGEXQAPBCLSH-XHEYCZLTSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12(20-15-8-5-7-14(18)10-15)17(22)21-19-11-13-6-3-4-9-16(13)23-2/h3-12,20H,1-2H3,(H,21,22)/b19-11-/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide?
(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 331.80 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 40571584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).