3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide

C14H18Cl2N2O — CID 54872645

IUPAC3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCNC1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-18(14(19)4-5-17-13-2-3-13)9-10-6-11(15)8-12(16)7-10/h6-8,13,17H,2-5,9H2,1H3
InChIKeyGFQYQBRVHSEVGJ-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.09
Rot. Bonds6

About 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide

3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide (PubChem CID 54872645) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
PubChem CID54872645
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCNC1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-18(14(19)4-5-17-13-2-3-13)9-10-6-11(15)8-12(16)7-10/h6-8,13,17H,2-5,9H2,1H3
InChIKeyGFQYQBRVHSEVGJ-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 60937202
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 60936891
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
CID 63307571
N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62211961
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
3-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60962807
3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 60938684
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
3-(cyclopropylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 60946463
N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
CID 111496777

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide (CID 54872645) is 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is GFQYQBRVHSEVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-18(14(19)4-5-17-13-2-3-13)9-10-6-11(15)8-12(16)7-10/h6-8,13,17H,2-5,9H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide?
3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 301.22 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 54872645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).