(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide

C20H22ClNO2 — CID 97276008

IUPAC(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCC1(CO)CC1
InChIInChI=1S/C20H22ClNO2/c21-18-9-5-4-8-16(18)17(15-6-2-1-3-7-15)12-19(24)22-13-20(14-23)10-11-20/h1-9,17,23H,10-14H2,(H,22,24)/t17-/m1/s1
InChIKeyKCAPJNHWRZKFRI-QGZVFWFLSA-N
MW343.85 g/mol
LogP3.75
Rot. Bonds7

About (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide

(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide (PubChem CID 97276008) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
PubChem CID97276008
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
SMILESO=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCC1(CO)CC1
InChIInChI=1S/C20H22ClNO2/c21-18-9-5-4-8-16(18)17(15-6-2-1-3-7-15)12-19(24)22-13-20(14-23)10-11-20/h1-9,17,23H,10-14H2,(H,22,24)/t17-/m1/s1
InChIKeyKCAPJNHWRZKFRI-QGZVFWFLSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80711817
(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide
CID 97282351
(3R)-3-(2-chlorophenyl)-3-phenyl-N-(2-piperazin-1-ylethyl)propanamide
CID 97283785
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 45206269
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
4-(2-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 110631700
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
3-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylpentanamide
CID 110310285
2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313079

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide (CID 97276008) is (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide is O=C(C[C@H](c1ccccc1)c1ccccc1Cl)NCC1(CO)CC1.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide?
The InChIKey is KCAPJNHWRZKFRI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22ClNO2/c21-18-9-5-4-8-16(18)17(15-6-2-1-3-7-15)12-19(24)22-13-20(14-23)10-11-20/h1-9,17,23H,10-14H2,(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide?
(3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide has a molecular weight of 343.85 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 97276008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).