2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride

C15H21Cl3N2O — CID 119298871

IUPAC2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-2-3-14(18)15(20)19(11-5-6-11)9-10-4-7-12(16)13(17)8-10;/h4,7-8,11,14H,2-3,5-6,9,18H2,1H3;1H
InChIKeyWMSXCKPNVHYOSQ-UHFFFAOYSA-N
MW351.71 g/mol
LogP4.03
Rot. Bonds6

About 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride

2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride (PubChem CID 119298871) has the molecular formula C15H21Cl3N2O and a molecular weight of 351.71 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
PubChem CID119298871
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC Name2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-2-3-14(18)15(20)19(11-5-6-11)9-10-4-7-12(16)13(17)8-10;/h4,7-8,11,14H,2-3,5-6,9,18H2,1H3;1H
InChIKeyWMSXCKPNVHYOSQ-UHFFFAOYSA-N
XLogP4.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
CID 61061923
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride (CID 119298871) is 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride is CCCC(N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.Cl.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride?
The InChIKey is WMSXCKPNVHYOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c1-2-3-14(18)15(20)19(11-5-6-11)9-10-4-7-12(16)13(17)8-10;/h4,7-8,11,14H,2-3,5-6,9,18H2,1H3;1H.
What are the key properties of 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride?
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119298871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).