N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide

C11H13Cl2N3O — CID 169367851

IUPACN-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C(/N)CCl)cc1Cl
InChIInChI=1S/C11H13Cl2N3O/c1-2-11(17)16-9-4-3-7(5-8(9)13)15-10(14)6-12/h3-5H,2,6H2,1H3,(H2,14,15)(H,16,17)
InChIKeyKSJZZBGTQHRMJT-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.92
Rot. Bonds4

About N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide

N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide (PubChem CID 169367851) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide
PubChem CID169367851
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC NameN-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C(/N)CCl)cc1Cl
InChIInChI=1S/C11H13Cl2N3O/c1-2-11(17)16-9-4-3-7(5-8(9)13)15-10(14)6-12/h3-5H,2,6H2,1H3,(H2,14,15)(H,16,17)
InChIKeyKSJZZBGTQHRMJT-UHFFFAOYSA-N
XLogP2.92
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.92
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-[4-[(1-amino-2-chloroethylidene)amino]-2-methylphenyl]butanamide
CID 169367399
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-[4-[(1-amino-2-chloroethylidene)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 169365950
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
N-[2-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]pentanamide
CID 169365917
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
N-[2-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanamide
CID 107809829
3-[(1-amino-2-chloroethylidene)amino]-N-ethylbenzamide
CID 169365696
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-[2-(aminomethyl)-4-chlorophenyl]propanamide
CID 66877518

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide?
The IUPAC name of N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide (CID 169367851) is N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide.
What is the SMILES notation for N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide?
The canonical SMILES for N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide is CCC(=O)Nc1ccc(/N=C(/N)CCl)cc1Cl.
What is the InChIKey of N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide?
The InChIKey is KSJZZBGTQHRMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c1-2-11(17)16-9-4-3-7(5-8(9)13)15-10(14)6-12/h3-5H,2,6H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide?
N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide has a molecular weight of 274.15 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-2-chloroethylidene)amino]-2-chlorophenyl]propanamide is sourced from PubChem (CID 169367851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).