trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide

C11H12ClNO — CID 2553201

IUPACtrans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-7-6-10(7)11(14)13-9-4-2-8(12)3-5-9/h2-5,7,10H,6H2,1H3,(H,13,14)/t7-,10-/m0/s1
InChIKeyLDOICKODKWUUEX-XVKPBYJWSA-N
MW209.68 g/mol
LogP2.93
Rot. Bonds2

About trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 2553201) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID2553201
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Nametrans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO/c1-7-6-10(7)11(14)13-9-4-2-8(12)3-5-9/h2-5,7,10H,6H2,1H3,(H,13,14)/t7-,10-/m0/s1
InChIKeyLDOICKODKWUUEX-XVKPBYJWSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
(1S,6S)-6-[(4-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795167
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
N-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450621
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873752
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159022

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide (CID 2553201) is trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is LDOICKODKWUUEX-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7-6-10(7)11(14)13-9-4-2-8(12)3-5-9/h2-5,7,10H,6H2,1H3,(H,13,14)/t7-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 209.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2553201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).