N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide

C15H20Cl2N2O — CID 60947854

IUPACN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C15H20Cl2N2O/c1-18-8-2-3-15(20)19(12-5-6-12)10-11-4-7-13(16)14(17)9-11/h4,7,9,12,18H,2-3,5-6,8,10H2,1H3
InChIKeyALRJLLGSAKPQIL-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.48
Rot. Bonds7

About N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide (PubChem CID 60947854) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
PubChem CID60947854
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C15H20Cl2N2O/c1-18-8-2-3-15(20)19(12-5-6-12)10-11-4-7-13(16)14(17)9-11/h4,7,9,12,18H,2-3,5-6,8,10H2,1H3
InChIKeyALRJLLGSAKPQIL-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
CID 61061923
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride
CID 119774221
1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
CID 81172021
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
CID 119740757
4-chloro-N-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 18198372
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
N'-cyclopropyl-N'-[(3,4-dichlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71888435
N-[(3,4-dichlorophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 86990999
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 86802858

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide?
The IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide (CID 60947854) is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide is CNCCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide?
The InChIKey is ALRJLLGSAKPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-18-8-2-3-15(20)19(12-5-6-12)10-11-4-7-13(16)14(17)9-11/h4,7,9,12,18H,2-3,5-6,8,10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide?
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide has a molecular weight of 315.24 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide is sourced from PubChem (CID 60947854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).