trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide

C10H10ClNO — CID 131139995

IUPACtrans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H2,12,13)/t8-,9+/m1/s1
InChIKeyIICYBLQRLHCKSO-BDAKNGLRSA-N
MW195.65 g/mol
LogP1.93
Rot. Bonds2

About trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 131139995) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID131139995
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Nametrans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H2,12,13)/t8-,9+/m1/s1
InChIKeyIICYBLQRLHCKSO-BDAKNGLRSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
2-(3-chlorophenyl)-N-(diaminomethylidene)cyclopropane-1-carboxamide
CID 54429872
2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 23027092
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 88976035
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
cis-tert-butyl (1R,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 102520338
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257
trans-(1R,2R)-2-(2,6-dichlorophenyl)cyclopropane-1-carboxamide
CID 95860606
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 131139995) is trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide is NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is IICYBLQRLHCKSO-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H2,12,13)/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 195.65 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131139995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).