3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide

C15H21ClN2O2 — CID 119803119

IUPAC3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide
SMILESCOC(CNC(=O)C1CCC(N)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-20-14(10-2-5-12(16)6-3-10)9-18-15(19)11-4-7-13(17)8-11/h2-3,5-6,11,13-14H,4,7-9,17H2,1H3,(H,18,19)
InChIKeyMHFPAASJNNIHRZ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.27
Rot. Bonds5

About 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide (PubChem CID 119803119) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide
PubChem CID119803119
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide
SMILESCOC(CNC(=O)C1CCC(N)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-20-14(10-2-5-12(16)6-3-10)9-18-15(19)11-4-7-13(17)8-11/h2-3,5-6,11,13-14H,4,7-9,17H2,1H3,(H,18,19)
InChIKeyMHFPAASJNNIHRZ-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807217
trans-(1S,2S)-2-[[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119144
3-amino-N-[bis(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 119738121
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
cis-(1S,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701417
trans-(1R,3R)-3-amino-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 124701313
3-amino-N-[2-(2-chlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119725465
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[2-(2-chlorophenyl)-2-hydroxyethyl]cyclopentane-1-carboxamide
CID 154759854
trans-(1R,3R)-3-amino-N-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 124778177
3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119773406
1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 124865728

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide (CID 119803119) is 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide is COC(CNC(=O)C1CCC(N)C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide?
The InChIKey is MHFPAASJNNIHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-14(10-2-5-12(16)6-3-10)9-18-15(19)11-4-7-13(17)8-11/h2-3,5-6,11,13-14H,4,7-9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119803119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).