N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide

C13H16ClNO2 — CID 110885456

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-8-6-11(8)13(17)15-7-12(16)9-2-4-10(14)5-3-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,15,17)
InChIKeyFBZPCKVKRCLCIG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 110885456) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID110885456
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c1-8-6-11(8)13(17)15-7-12(16)9-2-4-10(14)5-3-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,15,17)
InChIKeyFBZPCKVKRCLCIG-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110885515
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
3-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119720221
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide
CID 111477066
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
trans-(1S,2S)-2-[[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119144
N-[2-(4-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 110887592
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 110931258
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
N-[3-[[(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55651655

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide (CID 110885456) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is FBZPCKVKRCLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-6-11(8)13(17)15-7-12(16)9-2-4-10(14)5-3-9/h2-5,8,11-12,16H,6-7H2,1H3,(H,15,17).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 110885456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).