3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride

C14H20Cl2N2O — CID 120501433

IUPAC3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC1(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-9(10(2)16)13(18)17-14(6-7-14)11-4-3-5-12(15)8-11;/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,18);1H
InChIKeyXWUWOGNUYMMFDS-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.85
Rot. Bonds4

About 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride

3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride (PubChem CID 120501433) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
PubChem CID120501433
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC1(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-9(10(2)16)13(18)17-14(6-7-14)11-4-3-5-12(15)8-11;/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,18);1H
InChIKeyXWUWOGNUYMMFDS-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
1-[1-(3-chlorophenyl)cyclopropyl]-3-(2-hydroxypropyl)urea
CID 110490727
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide
CID 120501299

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride (CID 120501433) is 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride is CC(N)C(C)C(=O)NC1(c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride?
The InChIKey is XWUWOGNUYMMFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-9(10(2)16)13(18)17-14(6-7-14)11-4-3-5-12(15)8-11;/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).