N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide

C23H19ClN2O3 — CID 31801212

IUPACN-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H19ClN2O3/c24-18-8-1-3-10-20(18)29-21-11-4-2-9-19(21)26-23(28)16-6-5-7-17(14-16)25-22(27)15-12-13-15/h1-11,14-15H,12-13H2,(H,25,27)(H,26,28)
InChIKeyFFPQGWJPLSSFKP-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.73
Rot. Bonds6

About N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide

N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide (PubChem CID 31801212) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide
PubChem CID31801212
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H19ClN2O3/c24-18-8-1-3-10-20(18)29-21-11-4-2-9-19(21)26-23(28)16-6-5-7-17(14-16)25-22(27)15-12-13-15/h1-11,14-15H,12-13H2,(H,25,27)(H,26,28)
InChIKeyFFPQGWJPLSSFKP-UHFFFAOYSA-N
XLogP5.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 36542869
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 30461617
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415
methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
CID 34143285
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide (CID 31801212) is N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide is O=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide?
The InChIKey is FFPQGWJPLSSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-18-8-1-3-10-20(18)29-21-11-4-2-9-19(21)26-23(28)16-6-5-7-17(14-16)25-22(27)15-12-13-15/h1-11,14-15H,12-13H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide?
N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide has a molecular weight of 406.87 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-3-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 31801212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).