N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide

C19H21ClN2O2 — CID 112997506

IUPACN-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-19(2,3)15-6-4-5-7-16(15)22-17(23)12-21-18(24)13-8-10-14(20)11-9-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyUIOZGJYNMXXLIY-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.01
Rot. Bonds4

About N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide

N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide (PubChem CID 112997506) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
PubChem CID112997506
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-19(2,3)15-6-4-5-7-16(15)22-17(23)12-21-18(24)13-8-10-14(20)11-9-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyUIOZGJYNMXXLIY-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112997491
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006
N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112997518
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7920186
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
2-(4-acetylanilino)-N-(2-tert-butylphenyl)acetamide
CID 30534468
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 109008221
N-(2-tert-butylphenyl)-2-(cyclopropylamino)acetamide
CID 54773215
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide (CID 112997506) is N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide is CC(C)(C)c1ccccc1NC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide?
The InChIKey is UIOZGJYNMXXLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-19(2,3)15-6-4-5-7-16(15)22-17(23)12-21-18(24)13-8-10-14(20)11-9-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide?
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide has a molecular weight of 344.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide is sourced from PubChem (CID 112997506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).