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

C14H20ClN3O — CID 169365917

IUPACN-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C)cc1/N=C(/N)CCl
InChIInChI=1S/C14H20ClN3O/c1-3-4-5-14(19)18-11-7-6-10(2)8-12(11)17-13(16)9-15/h6-8H,3-5,9H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyDCENDGKHLSYPFO-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.35
Rot. Bonds6

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

N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide (PubChem CID 169365917) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide.

Molecular Properties

Compound NameN-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide
PubChem CID169365917
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C)cc1/N=C(/N)CCl
InChIInChI=1S/C14H20ClN3O/c1-3-4-5-14(19)18-11-7-6-10(2)8-12(11)17-13(16)9-15/h6-8H,3-5,9H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyDCENDGKHLSYPFO-UHFFFAOYSA-N
XLogP3.35
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
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-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
N-[4-[(1-amino-2-chloroethylidene)amino]-2-methylphenyl]butanamide
CID 169367399
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
3-[(N-butyl-N'-methylcarbamimidoyl)amino]-N-(2-chloro-4-methylphenyl)propanamide;hydroiodide
CID 111151317
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
CID 107809829
N-(4-methylphenyl)pentanamide
CID 3662375
N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide
CID 169367851
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide?
The IUPAC name of N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide (CID 169365917) is N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide.
What is the SMILES notation for N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide?
The canonical SMILES for N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide is CCCCC(=O)Nc1ccc(C)cc1/N=C(/N)CCl.
What is the InChIKey of N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide?
The InChIKey is DCENDGKHLSYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-4-5-14(19)18-11-7-6-10(2)8-12(11)17-13(16)9-15/h6-8H,3-5,9H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide?
N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide has a molecular weight of 281.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide is sourced from PubChem (CID 169365917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).