cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C19H19ClN2O3 — CID 52528491

IUPACcis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)ccc1NC(C)=O
InChIInChI=1S/C19H19ClN2O3/c1-11(23)21-17-8-7-12(9-18(17)25-2)22-19(24)15-10-14(15)13-5-3-4-6-16(13)20/h3-9,14-15H,10H2,1-2H3,(H,21,23)(H,22,24)/t14-,15-/m1/s1
InChIKeyRLDQSMMVRUIYTC-HUUCEWRRSA-N
MW358.83 g/mol
LogP4.05
Rot. Bonds5

About cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 52528491) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID52528491
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Namecis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)ccc1NC(C)=O
InChIInChI=1S/C19H19ClN2O3/c1-11(23)21-17-8-7-12(9-18(17)25-2)22-19(24)15-10-14(15)13-5-3-4-6-16(13)20/h3-9,14-15H,10H2,1-2H3,(H,21,23)(H,22,24)/t14-,15-/m1/s1
InChIKeyRLDQSMMVRUIYTC-HUUCEWRRSA-N
XLogP4.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55906811
2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 95311713
2-(2-chlorophenyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 112819613
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 49159062
methyl 2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-4-(difluoromethoxy)-5-methoxybenzoate
CID 55520233
2-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55748842
2-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55689122
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 55763153
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 112829742
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 52528491) is cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide is COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)ccc1NC(C)=O.
What is the InChIKey of cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is RLDQSMMVRUIYTC-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-11(23)21-17-8-7-12(9-18(17)25-2)22-19(24)15-10-14(15)13-5-3-4-6-16(13)20/h3-9,14-15H,10H2,1-2H3,(H,21,23)(H,22,24)/t14-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52528491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).