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

C13H19ClN4O — CID 169365615

IUPACN-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide
SMILESCc1ccc(NC(=O)CN(C)C)cc1/N=C(/N)CCl
InChIInChI=1S/C13H19ClN4O/c1-9-4-5-10(16-13(19)8-18(2)3)6-11(9)17-12(15)7-14/h4-6H,7-8H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyBOZCYFSAQKUNEV-UHFFFAOYSA-N
MW282.78 g/mol
LogP1.72
Rot. Bonds5

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

N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide (PubChem CID 169365615) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide
PubChem CID169365615
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC NameN-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide
SMILESCc1ccc(NC(=O)CN(C)C)cc1/N=C(/N)CCl
InChIInChI=1S/C13H19ClN4O/c1-9-4-5-10(16-13(19)8-18(2)3)6-11(9)17-12(15)7-14/h4-6H,7-8H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyBOZCYFSAQKUNEV-UHFFFAOYSA-N
XLogP1.72
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]cyclopentanecarboxamide
CID 169366320
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
3-[(1-amino-2-chloroethylidene)amino]-N,4-dimethylbenzamide
CID 169365893
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
5-[[2-(dimethylamino)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 86805194
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
CID 169356675
3-[(1-amino-2-chloroethylidene)amino]-N-cyclopropyl-4-methylbenzamide
CID 169366359
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-(dimethylamino)acetamide
CID 168602315
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide (CID 169365615) is N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide is Cc1ccc(NC(=O)CN(C)C)cc1/N=C(/N)CCl.
What is the InChIKey of N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide?
The InChIKey is BOZCYFSAQKUNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9-4-5-10(16-13(19)8-18(2)3)6-11(9)17-12(15)7-14/h4-6H,7-8H2,1-3H3,(H2,15,17)(H,16,19).
What are the key properties of N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide?
N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide has a molecular weight of 282.78 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-2-chloroethylidene)amino]-4-methylphenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 169365615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).