2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide

C16H22ClN3O — CID 81143504

IUPAC2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H22ClN3O/c1-20(10-16(21)19-13-5-6-13)15-7-2-11(8-14(15)17)9-18-12-3-4-12/h2,7-8,12-13,18H,3-6,9-10H2,1H3,(H,19,21)
InChIKeyXFSLRZADDJGXJR-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.31
Rot. Bonds7

About 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide

2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide (PubChem CID 81143504) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
PubChem CID81143504
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H22ClN3O/c1-20(10-16(21)19-13-5-6-13)15-7-2-11(8-14(15)17)9-18-12-3-4-12/h2,7-8,12-13,18H,3-6,9-10H2,1H3,(H,19,21)
InChIKeyXFSLRZADDJGXJR-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 81149641
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide
CID 81144235
2-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149052
N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
CID 62122234
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
2-chloro-N-cyclopentyl-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149552
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]cyclohexan-1-ol
CID 102633000
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
2-[4-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]-N-cyclopropylacetamide
CID 114850143
2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
CID 81148855
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 81146399

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide (CID 81143504) is 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)c1ccc(CNC2CC2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide?
The InChIKey is XFSLRZADDJGXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-20(10-16(21)19-13-5-6-13)15-7-2-11(8-14(15)17)9-18-12-3-4-12/h2,7-8,12-13,18H,3-6,9-10H2,1H3,(H,19,21).
What are the key properties of 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide?
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide has a molecular weight of 307.82 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide is sourced from PubChem (CID 81143504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).