(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide

C20H18ClN3O — CID 5498491

IUPAC(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide
SMILESC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C20H18ClN3O/c1-14(23-19-8-4-7-18(21)12-19)20(25)24-22-13-15-9-10-16-5-2-3-6-17(16)11-15/h2-14,23H,1H3,(H,24,25)/b22-13-/t14-/m0/s1
InChIKeySWMQVMUIIZZUDJ-CRRPLPBISA-N
MW351.84 g/mol
LogP4.44
Rot. Bonds5

About (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide

(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide (PubChem CID 5498491) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide
PubChem CID5498491
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide
SMILESC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C\c1ccc2ccccc2c1
InChIInChI=1S/C20H18ClN3O/c1-14(23-19-8-4-7-18(21)12-19)20(25)24-22-13-15-9-10-16-5-2-3-6-17(16)11-15/h2-14,23H,1H3,(H,24,25)/b22-13-/t14-/m0/s1
InChIKeySWMQVMUIIZZUDJ-CRRPLPBISA-N
XLogP4.44
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-chloroanilino)-N-(naphthalen-2-ylmethylideneamino)propanamide
CID 3917683
2-(3-chloroanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135719968
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 7784433
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390587
(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 5397493
(2S)-N-[(2-chlorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 1278023
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
CID 40571584
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
(2S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390583
(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397742

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide?
The IUPAC name of (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide (CID 5498491) is (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide?
The canonical SMILES for (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide is C[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C\c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide?
The InChIKey is SWMQVMUIIZZUDJ-CRRPLPBISA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14(23-19-8-4-7-18(21)12-19)20(25)24-22-13-15-9-10-16-5-2-3-6-17(16)11-15/h2-14,23H,1H3,(H,24,25)/b22-13-/t14-/m0/s1.
What are the key properties of (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide?
(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide has a molecular weight of 351.84 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide is sourced from PubChem (CID 5498491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).