N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide

C14H19ClN2O — CID 54871025

IUPACN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CNC1CC1
InChIInChI=1S/C14H19ClN2O/c1-2-17(14(18)9-16-13-6-7-13)10-11-4-3-5-12(15)8-11/h3-5,8,13,16H,2,6-7,9-10H2,1H3
InChIKeyIEDKTVMHGDPXIV-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.44
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide

N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide (PubChem CID 54871025) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
PubChem CID54871025
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)CNC1CC1
InChIInChI=1S/C14H19ClN2O/c1-2-17(14(18)9-16-13-6-7-13)10-11-4-3-5-12(15)8-11/h3-5,8,13,16H,2,6-7,9-10H2,1H3
InChIKeyIEDKTVMHGDPXIV-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-N-ethylacetamide
CID 60687458
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
4-[(3-chlorophenyl)methyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672699
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
ethyl 4-[[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108998968
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
2-(4-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 60940145
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 64824765

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide (CID 54871025) is N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide is CCN(Cc1cccc(Cl)c1)C(=O)CNC1CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide?
The InChIKey is IEDKTVMHGDPXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-17(14(18)9-16-13-6-7-13)10-11-4-3-5-12(15)8-11/h3-5,8,13,16H,2,6-7,9-10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide?
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide has a molecular weight of 266.77 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-ethylacetamide is sourced from PubChem (CID 54871025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).