1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide

C21H23ClN2O2 — CID 55764960

IUPAC1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)19(25)23-17-8-7-14(3)18(12-17)24-20(26)21(9-10-21)15-5-4-6-16(22)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyLBDOCNNEBATYSU-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.91
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 55764960) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID55764960
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)19(25)23-17-8-7-14(3)18(12-17)24-20(26)21(9-10-21)15-5-4-6-16(22)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyLBDOCNNEBATYSU-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-methylphenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439155
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CID 46485899
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
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1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726
1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
N-[3-(3-aminopropanoylamino)-4-methylphenyl]-2-methylpropanamide
CID 82034485
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 36545531
2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 47041621

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide (CID 55764960) is 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is LBDOCNNEBATYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-13(2)19(25)23-17-8-7-14(3)18(12-17)24-20(26)21(9-10-21)15-5-4-6-16(22)11-15/h4-8,11-13H,9-10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55764960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).