1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride

C12H16Cl2N2O2 — CID 119779146

IUPAC1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1cc(Cl)ccc1CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C12H15ClN2O2.ClH/c1-17-10-6-9(13)3-2-8(10)7-15-11(16)12(14)4-5-12;/h2-3,6H,4-5,7,14H2,1H3,(H,15,16);1H
InChIKeyCNIUSENBJOPAKD-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.88
Rot. Bonds4

About 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119779146) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119779146
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1cc(Cl)ccc1CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C12H15ClN2O2.ClH/c1-17-10-6-9(13)3-2-8(10)7-15-11(16)12(14)4-5-12;/h2-3,6H,4-5,7,14H2,1H3,(H,15,16);1H
InChIKeyCNIUSENBJOPAKD-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
(2S)-2-amino-N-[(4-chloro-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119779172
3-[(4-chloro-2-methoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065539
7-amino-N-[(4-chloro-2-methoxyphenyl)methyl]heptanamide
CID 119779149
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335
N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931808
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116576466
1-[(4-chloro-2-methoxyphenyl)methyl]-3-(piperidin-4-ylmethyl)urea
CID 166237713
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119813570
1-[(4-chloro-2-methoxyphenyl)methyl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 95334613

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride (CID 119779146) is 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride is COc1cc(Cl)ccc1CNC(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is CNIUSENBJOPAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2.ClH/c1-17-10-6-9(13)3-2-8(10)7-15-11(16)12(14)4-5-12;/h2-3,6H,4-5,7,14H2,1H3,(H,15,16);1H.
What are the key properties of 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119779146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).