4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide

C21H24N4O3 — CID 38166430

IUPAC4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C21H24N4O3/c1-13(2)22-21(28)25-18-11-9-17(10-12-18)24-20(27)15-5-7-16(8-6-15)23-19(26)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,27)(H2,22,25,28)
InChIKeyLPQBEFZDVKKQMM-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.82
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide

4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide (PubChem CID 38166430) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
PubChem CID38166430
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C21H24N4O3/c1-13(2)22-21(28)25-18-11-9-17(10-12-18)24-20(27)15-5-7-16(8-6-15)23-19(26)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,27)(H2,22,25,28)
InChIKeyLPQBEFZDVKKQMM-UHFFFAOYSA-N
XLogP3.82
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 120506326
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
4-methyl-N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 143491833
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(methoxymethyl)benzamide
CID 41266000
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide (CID 38166430) is 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide is CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The InChIKey is LPQBEFZDVKKQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(2)22-21(28)25-18-11-9-17(10-12-18)24-20(27)15-5-7-16(8-6-15)23-19(26)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,23,26)(H,24,27)(H2,22,25,28).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 38166430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).