1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide

C18H24ClNO2 — CID 94817943

IUPAC1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
SMILESC[C@@H](CC[C@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H24ClNO2/c1-13(7-8-16-6-3-11-22-16)20-17(21)18(9-10-18)14-4-2-5-15(19)12-14/h2,4-5,12-13,16H,3,6-11H2,1H3,(H,20,21)/t13-,16+/m0/s1
InChIKeyZXMYTRSBCJPMFG-XJKSGUPXSA-N
MW321.85 g/mol
LogP3.84
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide (PubChem CID 94817943) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
PubChem CID94817943
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
SMILESC[C@@H](CC[C@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H24ClNO2/c1-13(7-8-16-6-3-11-22-16)20-17(21)18(9-10-18)14-4-2-5-15(19)12-14/h2,4-5,12-13,16H,3,6-11H2,1H3,(H,20,21)/t13-,16+/m0/s1
InChIKeyZXMYTRSBCJPMFG-XJKSGUPXSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

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-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 56812614
3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
CID 94820204
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189
1-(3-chlorophenyl)-2-(oxolan-2-ylmethoxy)propan-1-one
CID 43798313
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
CID 71915004
N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
CID 94800701
2-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]furan-2,5-dicarboxamide
CID 97086861

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide (CID 94817943) is 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide is C[C@@H](CC[C@H]1CCCO1)NC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is ZXMYTRSBCJPMFG-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-13(7-8-16-6-3-11-22-16)20-17(21)18(9-10-18)14-4-2-5-15(19)12-14/h2,4-5,12-13,16H,3,6-11H2,1H3,(H,20,21)/t13-,16+/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94817943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).