2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride

C16H24Cl2N2O — CID 119772688

IUPAC2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC1(c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-3-11(2)14(18)15(20)19-10-16(8-9-16)12-4-6-13(17)7-5-12;/h4-7,11,14H,3,8-10,18H2,1-2H3,(H,19,20);1H
InChIKeyNISAAPYVCONDOV-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.28
Rot. Bonds6

About 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride

2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride (PubChem CID 119772688) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
PubChem CID119772688
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC1(c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-3-11(2)14(18)15(20)19-10-16(8-9-16)12-4-6-13(17)7-5-12;/h4-7,11,14H,3,8-10,18H2,1-2H3,(H,19,20);1H
InChIKeyNISAAPYVCONDOV-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119750018
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-amino-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120988365
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
CID 67385551
(2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
CID 67386599
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
2-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylpentanamide
CID 119747072
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride (CID 119772688) is 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC1(c2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride?
The InChIKey is NISAAPYVCONDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-3-11(2)14(18)15(20)19-10-16(8-9-16)12-4-6-13(17)7-5-12;/h4-7,11,14H,3,8-10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119772688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).