3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide

C21H21N3O3 — CID 26110757

IUPAC3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
SMILESO=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H21N3O3/c25-19(13-4-5-13)22-16-8-6-14(7-9-16)20(26)24-18-3-1-2-15(12-18)21(27)23-17-10-11-17/h1-3,6-9,12-13,17H,4-5,10-11H2,(H,22,25)(H,23,27)(H,24,26)
InChIKeyIXRSDPXDUMJEDU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.18
Rot. Bonds6

About 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide

3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide (PubChem CID 26110757) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
PubChem CID26110757
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
SMILESO=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H21N3O3/c25-19(13-4-5-13)22-16-8-6-14(7-9-16)20(26)24-18-3-1-2-15(12-18)21(27)23-17-10-11-17/h1-3,6-9,12-13,17H,4-5,10-11H2,(H,22,25)(H,23,27)(H,24,26)
InChIKeyIXRSDPXDUMJEDU-UHFFFAOYSA-N
XLogP3.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
CID 9326139
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide (CID 26110757) is 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide is O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide?
The InChIKey is IXRSDPXDUMJEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19(13-4-5-13)22-16-8-6-14(7-9-16)20(26)24-18-3-1-2-15(12-18)21(27)23-17-10-11-17/h1-3,6-9,12-13,17H,4-5,10-11H2,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide?
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 26110757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).