1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide

C17H23ClN2O2 — CID 97086285

IUPAC1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@@H]1CN(C)CCO1
InChIInChI=1S/C17H23ClN2O2/c1-12(15-11-20(2)9-10-22-15)19-16(21)17(7-8-17)13-3-5-14(18)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,19,21)/t12-,15-/m0/s1
InChIKeyYBYADHOEGMJFRY-WFASDCNBSA-N
MW322.84 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 97086285) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID97086285
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@@H]1CN(C)CCO1
InChIInChI=1S/C17H23ClN2O2/c1-12(15-11-20(2)9-10-22-15)19-16(21)17(7-8-17)13-3-5-14(18)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,19,21)/t12-,15-/m0/s1
InChIKeyYBYADHOEGMJFRY-WFASDCNBSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[(1R)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 97086288
1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 94094208
1-(3-chlorophenyl)-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 47167781
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide
CID 75437440
7-chloro-N-[(1S)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97106689
[2-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 105244565
4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
CID 46978027
[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(4-chlorophenyl)oxan-4-yl]methanone
CID 126810716
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
CID 11543898
1-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 43390346
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 97086285) is 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@@H]1CN(C)CCO1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is YBYADHOEGMJFRY-WFASDCNBSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(15-11-20(2)9-10-22-15)19-16(21)17(7-8-17)13-3-5-14(18)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,19,21)/t12-,15-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97086285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).