N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide

C19H21Cl2N3O2 — CID 54819787

IUPACN-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-19(2,3)24-18(26)12-5-4-6-14(9-12)23-17(25)11-22-16-10-13(20)7-8-15(16)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUSPLTAGNISGHKP-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.57
Rot. Bonds5

About N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide

N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide (PubChem CID 54819787) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
PubChem CID54819787
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-19(2,3)24-18(26)12-5-4-6-14(9-12)23-17(25)11-22-16-10-13(20)7-8-15(16)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUSPLTAGNISGHKP-UHFFFAOYSA-N
XLogP4.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819548
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
N-[3-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54819617
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54819586
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54810893

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide (CID 54819787) is N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide?
The InChIKey is USPLTAGNISGHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-19(2,3)24-18(26)12-5-4-6-14(9-12)23-17(25)11-22-16-10-13(20)7-8-15(16)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide has a molecular weight of 394.30 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54819787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).