3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide

C16H15ClN2O2 — CID 772080

IUPAC3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-4-2-7-14(8-11)19-15(20)10-18-16(21)12-5-3-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyDHHDZTBLKNQJQV-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.02
Rot. Bonds4

About 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide

3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (PubChem CID 772080) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
PubChem CID772080
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-4-2-7-14(8-11)19-15(20)10-18-16(21)12-5-3-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyDHHDZTBLKNQJQV-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
CID 47005544
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 4297035
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (CID 772080) is 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is Cc1cccc(NC(=O)CNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is DHHDZTBLKNQJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-4-2-7-14(8-11)19-15(20)10-18-16(21)12-5-3-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 772080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).