1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

C19H20ClNO3 — CID 56812374

IUPAC1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C(O)CNC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClNO3/c1-24-17-8-3-2-7-15(17)16(22)12-21-18(23)19(9-10-19)13-5-4-6-14(20)11-13/h2-8,11,16,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyQMLSHGWYPGKLCE-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.23
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 56812374) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID56812374
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C(O)CNC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClNO3/c1-24-17-8-3-2-7-15(17)16(22)12-21-18(23)19(9-10-19)13-5-4-6-14(20)11-13/h2-8,11,16,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyQMLSHGWYPGKLCE-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-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 95382656
1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 86981034
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110437987
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 96530875
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189
1-(3-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 55677645
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737
1-(3-chlorophenyl)-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111791815
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
1-(3-fluorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]cyclobutane-1-carboxamide
CID 111791808

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 56812374) is 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is COc1ccccc1C(O)CNC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is QMLSHGWYPGKLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-24-17-8-3-2-7-15(17)16(22)12-21-18(23)19(9-10-19)13-5-4-6-14(20)11-13/h2-8,11,16,22H,9-10,12H2,1H3,(H,21,23).
What are the key properties of 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]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 1-(3-chlorophenyl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56812374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).