4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide

C20H21ClN2O2 — CID 4251870

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide
SMILESCc1cc(OCc2ccc(C(=O)NN=C3CCCC3)cc2)ccc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-14-12-18(10-11-19(14)21)25-13-15-6-8-16(9-7-15)20(24)23-22-17-4-2-3-5-17/h6-12H,2-5,13H2,1H3,(H,23,24)
InChIKeyQBMWZQUTQQYNQH-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.89
Rot. Bonds5

About 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide

4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide (PubChem CID 4251870) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide
PubChem CID4251870
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide
SMILESCc1cc(OCc2ccc(C(=O)NN=C3CCCC3)cc2)ccc1Cl
InChIInChI=1S/C20H21ClN2O2/c1-14-12-18(10-11-19(14)21)25-13-15-6-8-16(9-7-15)20(24)23-22-17-4-2-3-5-17/h6-12H,2-5,13H2,1H3,(H,23,24)
InChIKeyQBMWZQUTQQYNQH-UHFFFAOYSA-N
XLogP4.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.89
H-Bond Donors ≤ 51
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-chloro-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6904308
2-chloro-N'-[3-(2-furyl)-1-methyl-2-propenylidene]benzohydrazide
CID 5409511
N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
CID 6368411
4-chloro-N'-[(2E)-1-(4-methoxyphenyl)propan-2-ylidene]benzohydrazide
CID 5981751
N'-(5-chloro-2-ethoxybenzylidene)benzohydrazide
CID 6876807
2-[(4-chlorophenyl)methoxy]-N-(cyclopentylideneamino)benzamide
CID 3978499
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(E)-3-methylpentan-2-ylideneamino]benzamide
CID 9626480
5-chloro-N'-cyclopentylidene-2-methoxybenzohydrazide
CID 903028
4-((4-Chloro-3-methylphenoxy)methyl)benzohydrazide
CID 1989522
4-((4-Chlorophenoxy)methyl)benzohydrazide
CID 2060452
4-[(4-Chloro-3-methylphenoxy)methyl]-3-methoxybenzohydrazide
CID 56929126
2-Chloro-N'-(3-((4-chlorobenzyl)oxy)benzylidene)benzohydrazide
CID 9632501

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide (CID 4251870) is 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide is Cc1cc(OCc2ccc(C(=O)NN=C3CCCC3)cc2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide?
The InChIKey is QBMWZQUTQQYNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-12-18(10-11-19(14)21)25-13-15-6-8-16(9-7-15)20(24)23-22-17-4-2-3-5-17/h6-12H,2-5,13H2,1H3,(H,23,24).
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide?
4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide has a molecular weight of 356.85 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide is sourced from PubChem (CID 4251870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).