2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide

C18H19ClN2O2 — CID 807000

IUPAC2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide
SMILESCC(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)10-17(22)20-13-6-5-7-14(11-13)21-18(23)15-8-3-4-9-16(15)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXBPWMECPEYUZNP-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.58
Rot. Bonds5

About 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide

2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide (PubChem CID 807000) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide
PubChem CID807000
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide
SMILESCC(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-12(2)10-17(22)20-13-6-5-7-14(11-13)21-18(23)15-8-3-4-9-16(15)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyXBPWMECPEYUZNP-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide (CID 807000) is 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide is CC(C)CC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide?
The InChIKey is XBPWMECPEYUZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(2)10-17(22)20-13-6-5-7-14(11-13)21-18(23)15-8-3-4-9-16(15)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide?
2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3-methylbutanoylamino)phenyl]benzamide is sourced from PubChem (CID 807000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).