N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide

C20H22ClN3O3 — CID 51120300

IUPACN-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C20H22ClN3O3/c1-2-6-18(25)24-15-8-5-7-14(11-15)12-22-19(26)13-23-20(27)16-9-3-4-10-17(16)21/h3-5,7-11H,2,6,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyNZACGWSJBFGILB-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.12
Rot. Bonds8

About N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide

N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide (PubChem CID 51120300) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
PubChem CID51120300
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C20H22ClN3O3/c1-2-6-18(25)24-15-8-5-7-14(11-15)12-22-19(26)13-23-20(27)16-9-3-4-10-17(16)21/h3-5,7-11H,2,6,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyNZACGWSJBFGILB-UHFFFAOYSA-N
XLogP3.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
CID 60515223
N-[[3-(butanoylamino)phenyl]methyl]-2-methylsulfonylbenzamide
CID 87001535
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60515059
2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
CID 9300768
N-[3-[[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111174988
2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide
CID 51132431
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711
2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923898
N-[[3-(butanoylamino)phenyl]methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55844693
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide (CID 51120300) is N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide is CCCC(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is NZACGWSJBFGILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-2-6-18(25)24-15-8-5-7-14(11-15)12-22-19(26)13-23-20(27)16-9-3-4-10-17(16)21/h3-5,7-11H,2,6,12-13H2,1H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide?
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 387.87 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide is sourced from PubChem (CID 51120300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).