2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide

C22H26ClNO3 — CID 2933931

IUPAC2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CC2c2ccc(C(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C22H26ClNO3/c1-22(2,3)14-8-6-13(7-9-14)15-10-16(15)21(25)24-18-11-17(23)19(26-4)12-20(18)27-5/h6-9,11-12,15-16H,10H2,1-5H3,(H,24,25)
InChIKeyNJQQVATZQJBBBE-UHFFFAOYSA-N
MW387.91 g/mol
LogP5.40
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide

2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 2933931) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID2933931
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2CC2c2ccc(C(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C22H26ClNO3/c1-22(2,3)14-8-6-13(7-9-14)15-10-16(15)21(25)24-18-11-17(23)19(26-4)12-20(18)27-5/h6-9,11-12,15-16H,10H2,1-5H3,(H,24,25)
InChIKeyNJQQVATZQJBBBE-UHFFFAOYSA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753
N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009885
1-[[(1S,2R)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-3-(2,4-dimethoxyphenyl)urea
CID 7477348
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-(3-acetamido-4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134050960
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 41161591
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide (CID 2933931) is 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide is COc1cc(OC)c(NC(=O)C2CC2c2ccc(C(C)(C)C)cc2)cc1Cl.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is NJQQVATZQJBBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO3/c1-22(2,3)14-8-6-13(7-9-14)15-10-16(15)21(25)24-18-11-17(23)19(26-4)12-20(18)27-5/h6-9,11-12,15-16H,10H2,1-5H3,(H,24,25).
What are the key properties of 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide?
2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2933931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).