3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide

C21H21N3O3 — CID 30127139

IUPAC3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H21N3O3/c25-19(13-7-8-13)23-17-5-2-4-15(12-17)21(27)24-18-6-1-3-14(11-18)20(26)22-16-9-10-16/h1-6,11-13,16H,7-10H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyIXMCCPKLXJVDMX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.18
Rot. Bonds6

About 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide

3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide (PubChem CID 30127139) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
PubChem CID30127139
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H21N3O3/c25-19(13-7-8-13)23-17-5-2-4-15(12-17)21(27)24-18-6-1-3-14(11-18)20(26)22-16-9-10-16/h1-6,11-13,16H,7-10H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyIXMCCPKLXJVDMX-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-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide (CID 30127139) is 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide is O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide?
The InChIKey is IXMCCPKLXJVDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19(13-7-8-13)23-17-5-2-4-15(12-17)21(27)24-18-6-1-3-14(11-18)20(26)22-16-9-10-16/h1-6,11-13,16H,7-10H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide 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-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 30127139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).