1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide

C18H20ClN3O — CID 154491906

IUPAC1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCN(c1ccc(CNC(=O)C2(N)CC2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H20ClN3O/c1-22(16-5-3-2-4-15(16)19)14-8-6-13(7-9-14)12-21-17(23)18(20)10-11-18/h2-9H,10-12,20H2,1H3,(H,21,23)
InChIKeyVZIAJGZSEOPAFV-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.22
Rot. Bonds5

About 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 154491906) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID154491906
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCN(c1ccc(CNC(=O)C2(N)CC2)cc1)c1ccccc1Cl
InChIInChI=1S/C18H20ClN3O/c1-22(16-5-3-2-4-15(16)19)14-8-6-13(7-9-14)12-21-17(23)18(20)10-11-18/h2-9H,10-12,20H2,1H3,(H,21,23)
InChIKeyVZIAJGZSEOPAFV-UHFFFAOYSA-N
XLogP3.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[4-(dimethylamino)phenyl]methyl]cyclobutane-1-carboxamide
CID 81171925
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
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1-[(2-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949067
1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119842475
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
3-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]oxolane-3-carboxamide
CID 67534870
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119832261
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide
CID 3853433

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide (CID 154491906) is 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide is CN(c1ccc(CNC(=O)C2(N)CC2)cc1)c1ccccc1Cl.
What is the InChIKey of 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is VZIAJGZSEOPAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-22(16-5-3-2-4-15(16)19)14-8-6-13(7-9-14)12-21-17(23)18(20)10-11-18/h2-9H,10-12,20H2,1H3,(H,21,23).
What are the key properties of 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(2-chloro-N-methylanilino)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154491906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).