N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide

C15H20ClN3O — CID 169366320

IUPACN-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1/N=C(/N)CCl
InChIInChI=1S/C15H20ClN3O/c1-10-6-7-12(8-13(10)19-14(17)9-16)18-15(20)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyGMXJMWSIAXKPCT-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.35
Rot. Bonds4

About N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide

N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide (PubChem CID 169366320) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide
PubChem CID169366320
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCC2)cc1/N=C(/N)CCl
InChIInChI=1S/C15H20ClN3O/c1-10-6-7-12(8-13(10)19-14(17)9-16)18-15(20)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyGMXJMWSIAXKPCT-UHFFFAOYSA-N
XLogP3.35
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]butanamide
CID 169366318
3-[(1-amino-2-chloroethylidene)amino]-N-cyclopropyl-4-methylbenzamide
CID 169366359
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
4-(cyclooctanecarbonylamino)-2-methylbenzoic acid
CID 65019247
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
CID 104963718

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide (CID 169366320) is N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide is Cc1ccc(NC(=O)C2CCCC2)cc1/N=C(/N)CCl.
What is the InChIKey of N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide?
The InChIKey is GMXJMWSIAXKPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10-6-7-12(8-13(10)19-14(17)9-16)18-15(20)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide?
N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide has a molecular weight of 293.80 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide is sourced from PubChem (CID 169366320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).