3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide

C19H18ClN3O3 — CID 26058931

IUPAC3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18ClN3O3/c20-14-3-1-2-13(10-14)18(25)21-11-17(24)22-15-6-8-16(9-7-15)23-19(26)12-4-5-12/h1-3,6-10,12H,4-5,11H2,(H,21,25)(H,22,24)(H,23,26)
InChIKeyIGLCFXHZMMNOAZ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.06
Rot. Bonds6

About 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide

3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide (PubChem CID 26058931) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
PubChem CID26058931
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18ClN3O3/c20-14-3-1-2-13(10-14)18(25)21-11-17(24)22-15-6-8-16(9-7-15)23-19(26)12-4-5-12/h1-3,6-10,12H,4-5,11H2,(H,21,25)(H,22,24)(H,23,26)
InChIKeyIGLCFXHZMMNOAZ-UHFFFAOYSA-N
XLogP3.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 38325655
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 9219617
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
CID 47005544
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide (CID 26058931) is 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide?
The InChIKey is IGLCFXHZMMNOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-14-3-1-2-13(10-14)18(25)21-11-17(24)22-15-6-8-16(9-7-15)23-19(26)12-4-5-12/h1-3,6-10,12H,4-5,11H2,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide has a molecular weight of 371.82 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 26058931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).