(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide

C17H18ClN3O2 — CID 136851943

IUPAC(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)N/N=C\c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H18ClN3O2/c1-11-3-6-15(7-4-11)20-12(2)17(23)21-19-10-13-9-14(18)5-8-16(13)22/h3-10,12,20,22H,1-2H3,(H,21,23)/b19-10-/t12-/m1/s1
InChIKeyOCKTYOUJXJFYFL-FGHSJCFPSA-N
MW331.80 g/mol
LogP3.30
Rot. Bonds5

About (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide

(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide (PubChem CID 136851943) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
PubChem CID136851943
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
SMILESCc1ccc(N[C@H](C)C(=O)N/N=C\c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H18ClN3O2/c1-11-3-6-15(7-4-11)20-12(2)17(23)21-19-10-13-9-14(18)5-8-16(13)22/h3-10,12,20,22H,1-2H3,(H,21,23)/b19-10-/t12-/m1/s1
InChIKeyOCKTYOUJXJFYFL-FGHSJCFPSA-N
XLogP3.30
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
CID 3634771
(2S)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)propanamide
CID 136884144
(2S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136720614
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)propanamide
CID 135606040
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 135830802
2-(4-chloroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135957595
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135679505
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
(2S)-2-(4-bromoanilino)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]butanamide
CID 136757862
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136670442
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide?
The IUPAC name of (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide (CID 136851943) is (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide?
The canonical SMILES for (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide is Cc1ccc(N[C@H](C)C(=O)N/N=C\c2cc(Cl)ccc2O)cc1.
What is the InChIKey of (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide?
The InChIKey is OCKTYOUJXJFYFL-FGHSJCFPSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-3-6-15(7-4-11)20-12(2)17(23)21-19-10-13-9-14(18)5-8-16(13)22/h3-10,12,20,22H,1-2H3,(H,21,23)/b19-10-/t12-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide?
(2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide has a molecular weight of 331.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide is sourced from PubChem (CID 136851943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).