N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide

C13H16ClNO2 — CID 17404105

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CC1C
InChIInChI=1S/C13H16ClNO2/c1-7-4-9(7)13(16)15-11-5-8(2)10(14)6-12(11)17-3/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyUMOBNVIVRMGCHZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.25
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 17404105) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
PubChem CID17404105
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C1CC1C
InChIInChI=1S/C13H16ClNO2/c1-7-4-9(7)13(16)15-11-5-8(2)10(14)6-12(11)17-3/h5-7,9H,4H2,1-3H3,(H,15,16)
InChIKeyUMOBNVIVRMGCHZ-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
(1S,6S)-6-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 39729016
2-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130803
1-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141972
1-N-butan-2-yl-2-N-(4-chloro-2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131780
5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 43406220
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604853
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982076
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide (CID 17404105) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)C1CC1C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is UMOBNVIVRMGCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-7-4-9(7)13(16)15-11-5-8(2)10(14)6-12(11)17-3/h5-7,9H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 17404105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).