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

C19H19N3O3 — CID 38325655

IUPACN-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H19N3O3/c23-17(12-20-18(24)13-5-2-1-3-6-13)21-15-7-4-8-16(11-15)22-19(25)14-9-10-14/h1-8,11,14H,9-10,12H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyPFHSGGOELFVQGO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.40
Rot. Bonds6

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

N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide (PubChem CID 38325655) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
PubChem CID38325655
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H19N3O3/c23-17(12-20-18(24)13-5-2-1-3-6-13)21-15-7-4-8-16(11-15)22-19(25)14-9-10-14/h1-8,11,14H,9-10,12H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyPFHSGGOELFVQGO-UHFFFAOYSA-N
XLogP2.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38325393
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
tert-butyl N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917170
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide (CID 38325655) is N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide?
The InChIKey is PFHSGGOELFVQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-17(12-20-18(24)13-5-2-1-3-6-13)21-15-7-4-8-16(11-15)22-19(25)14-9-10-14/h1-8,11,14H,9-10,12H2,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide?
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 38325655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).