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

C19H20ClNO3 — CID 110437987

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClNO3/c1-24-17-5-3-2-4-15(17)19(10-11-19)18(23)21-12-16(22)13-6-8-14(20)9-7-13/h2-9,16,22H,10-12H2,1H3,(H,21,23)
InChIKeySMIRKRBRIHUFDK-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.23
Rot. Bonds6

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

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 110437987) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID110437987
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H20ClNO3/c1-24-17-5-3-2-4-15(17)19(10-11-19)18(23)21-12-16(22)13-6-8-14(20)9-7-13/h2-9,16,22H,10-12H2,1H3,(H,21,23)
InChIKeySMIRKRBRIHUFDK-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 110437937
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 56812374
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 110466088
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 36511989
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide
CID 90623808
2-[[1-(2-methoxyphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 110466240
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437951
N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438923
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide
CID 75381312
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
1-(2-methoxyphenyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 110486813

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 110437987) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is SMIRKRBRIHUFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-24-17-5-3-2-4-15(17)19(10-11-19)18(23)21-12-16(22)13-6-8-14(20)9-7-13/h2-9,16,22H,10-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110437987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).