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

C19H22ClN3O2 — CID 54844566

IUPACN-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClN3O2/c1-19(2,3)23-18(25)13-5-4-6-16(11-13)21-12-17(24)22-15-9-7-14(20)8-10-15/h4-11,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKDOIFKSKXKVQIW-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.92
Rot. Bonds5

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

N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54844566) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
PubChem CID54844566
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClN3O2/c1-19(2,3)23-18(25)13-5-4-6-16(11-13)21-12-17(24)22-15-9-7-14(20)8-10-15/h4-11,21H,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKDOIFKSKXKVQIW-UHFFFAOYSA-N
XLogP3.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819787
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-tert-butyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54845988
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
N-tert-butyl-3-[[2-(ethylamino)-2-oxoethyl]amino]benzamide
CID 54844517
N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54844261

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide (CID 54844566) is N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is KDOIFKSKXKVQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-19(2,3)23-18(25)13-5-4-6-16(11-13)21-12-17(24)22-15-9-7-14(20)8-10-15/h4-11,21H,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide?
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.92, 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-(4-chloroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).