N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide

C19H20N2O2 — CID 17444073

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C19H20N2O2/c1-12-3-4-13(2)17(11-12)19(23)21-16-9-7-15(8-10-16)20-18(22)14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXLUUSULTKZQDJR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.90
Rot. Bonds4

About N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide

N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide (PubChem CID 17444073) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
PubChem CID17444073
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C19H20N2O2/c1-12-3-4-13(2)17(11-12)19(23)21-16-9-7-15(8-10-16)20-18(22)14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXLUUSULTKZQDJR-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
N-(4-cyclopentyloxyphenyl)-2,5-dimethylbenzamide
CID 38454818
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
CID 7925847
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide (CID 17444073) is N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide?
The InChIKey is XLUUSULTKZQDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-3-4-13(2)17(11-12)19(23)21-16-9-7-15(8-10-16)20-18(22)14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 17444073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).