(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide

C16H14ClN5O — CID 5397371

IUPAC(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide
SMILESC[C@H](C(=O)N/N=C\c1ccccc1Cl)n1nnc2ccccc21
InChIInChI=1S/C16H14ClN5O/c1-11(22-15-9-5-4-8-14(15)19-21-22)16(23)20-18-10-12-6-2-3-7-13(12)17/h2-11H,1H3,(H,20,23)/b18-10-/t11-/m1/s1
InChIKeyOAABKKWHMSLVFX-IPHDDYSGSA-N
MW327.78 g/mol
LogP2.80
Rot. Bonds4

About (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide

(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide (PubChem CID 5397371) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide
PubChem CID5397371
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide
SMILESC[C@H](C(=O)N/N=C\c1ccccc1Cl)n1nnc2ccccc21
InChIInChI=1S/C16H14ClN5O/c1-11(22-15-9-5-4-8-14(15)19-21-22)16(23)20-18-10-12-6-2-3-7-13(12)17/h2-11H,1H3,(H,20,23)/b18-10-/t11-/m1/s1
InChIKeyOAABKKWHMSLVFX-IPHDDYSGSA-N
XLogP2.80
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(benzotriazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]propanamide
CID 721705
(2S)-2-(benzotriazol-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 5397368
(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
CID 5397344
(2S)-2-(benzotriazol-1-yl)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 92849204
2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
CID 5050404
(2S)-2-(benzotriazol-1-yl)-N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]propanamide
CID 135688976
2-(benzotriazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 5112556
(2S)-2-(benzotriazol-1-yl)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1219346
(2S)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(benzotriazol-1-yl)propanamide
CID 5397362
2-(benzotriazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 5016769
2-(benzotriazol-1-yl)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]propanamide
CID 5172148
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(5-morpholin-4-yltetrazol-2-yl)propanamide
CID 134092932

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide (CID 5397371) is (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide is C[C@H](C(=O)N/N=C\c1ccccc1Cl)n1nnc2ccccc21.
What is the InChIKey of (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide?
The InChIKey is OAABKKWHMSLVFX-IPHDDYSGSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-11(22-15-9-5-4-8-14(15)19-21-22)16(23)20-18-10-12-6-2-3-7-13(12)17/h2-11H,1H3,(H,20,23)/b18-10-/t11-/m1/s1.
What are the key properties of (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide?
(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide has a molecular weight of 327.78 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 5397371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).