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

C16H20ClNO2 — CID 94094208

IUPAC1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C16H20ClNO2/c1-11(14-6-3-9-20-14)18-15(19)16(7-8-16)12-4-2-5-13(17)10-12/h2,4-5,10-11,14H,3,6-9H2,1H3,(H,18,19)/t11-,14-/m0/s1
InChIKeyIWAPMFYQJMMYPK-FZMZJTMJSA-N
MW293.79 g/mol
LogP3.06
Rot. Bonds4

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

1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 94094208) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID94094208
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C16H20ClNO2/c1-11(14-6-3-9-20-14)18-15(19)16(7-8-16)12-4-2-5-13(17)10-12/h2,4-5,10-11,14H,3,6-9H2,1H3,(H,18,19)/t11-,14-/m0/s1
InChIKeyIWAPMFYQJMMYPK-FZMZJTMJSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 47167781
1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 94817943
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
1-(4-chlorophenyl)-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 97086285
1-(4-chlorophenyl)-N-[(1R)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 97086288
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95760999
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95761001
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 47798035
1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
CID 71915004

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide (CID 94094208) is 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)[C@@H]1CCCO1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is IWAPMFYQJMMYPK-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-11(14-6-3-9-20-14)18-15(19)16(7-8-16)12-4-2-5-13(17)10-12/h2,4-5,10-11,14H,3,6-9H2,1H3,(H,18,19)/t11-,14-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94094208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).