N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide

C21H22N2O2 — CID 71461129

IUPACN-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide
SMILESO=C(NC1CC1)c1cccc(Nc2ccc3c(c2)CCCCC3=O)c1
InChIInChI=1S/C21H22N2O2/c24-20-7-2-1-4-14-12-18(10-11-19(14)20)22-17-6-3-5-15(13-17)21(25)23-16-8-9-16/h3,5-6,10-13,16,22H,1-2,4,7-9H2,(H,23,25)
InChIKeyIIHGVBVBYLABHA-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.23
Rot. Bonds4

About N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide

N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide (PubChem CID 71461129) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide
PubChem CID71461129
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide
SMILESO=C(NC1CC1)c1cccc(Nc2ccc3c(c2)CCCCC3=O)c1
InChIInChI=1S/C21H22N2O2/c24-20-7-2-1-4-14-12-18(10-11-19(14)20)22-17-6-3-5-15(13-17)21(25)23-16-8-9-16/h3,5-6,10-13,16,22H,1-2,4,7-9H2,(H,23,25)
InChIKeyIIHGVBVBYLABHA-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]phenyl]benzamide
CID 71449963
N-[3-(cyclopropylcarbamoyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 26993790
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 83819396
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide (CID 71461129) is N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide is O=C(NC1CC1)c1cccc(Nc2ccc3c(c2)CCCCC3=O)c1.
What is the InChIKey of N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide?
The InChIKey is IIHGVBVBYLABHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20-7-2-1-4-14-12-18(10-11-19(14)20)22-17-6-3-5-15(13-17)21(25)23-16-8-9-16/h3,5-6,10-13,16,22H,1-2,4,7-9H2,(H,23,25).
What are the key properties of N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide?
N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide has a molecular weight of 334.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)amino]benzamide is sourced from PubChem (CID 71461129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).