N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide

C19H21Cl2N3O2 — CID 31699711

IUPACN-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-19(2,3)24-18(26)12-7-9-13(10-8-12)22-11-16(25)23-15-6-4-5-14(20)17(15)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKPBJORYMJPQQRN-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.57
Rot. Bonds5

About N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide

N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 31699711) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
PubChem CID31699711
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-19(2,3)24-18(26)12-7-9-13(10-8-12)22-11-16(25)23-15-6-4-5-14(20)17(15)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKPBJORYMJPQQRN-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

2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55917932
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402
2-[4-(azepane-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 54834934
4-[[2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834442
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
2-chloro-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 60539073
N-tert-butyl-4-[3-(2,3-dichlorophenyl)propanoylamino]benzamide
CID 38950553

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide (CID 31699711) is N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide is CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is KPBJORYMJPQQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-19(2,3)24-18(26)12-7-9-13(10-8-12)22-11-16(25)23-15-6-4-5-14(20)17(15)21/h4-10,22H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide?
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]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-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 31699711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).