3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide

C16H17Cl2N3O — CID 100628080

IUPAC3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1
InChIInChI=1S/C16H17Cl2N3O/c1-9(2)20-16(22)10-6-7-13(12(19)8-10)21-14-5-3-4-11(17)15(14)18/h3-9,21H,19H2,1-2H3,(H,20,22)
InChIKeyRVQUFWGCJPBCSS-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.46
Rot. Bonds4

About 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide

3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide (PubChem CID 100628080) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide
PubChem CID100628080
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1
InChIInChI=1S/C16H17Cl2N3O/c1-9(2)20-16(22)10-6-7-13(12(19)8-10)21-14-5-3-4-11(17)15(14)18/h3-9,21H,19H2,1-2H3,(H,20,22)
InChIKeyRVQUFWGCJPBCSS-UHFFFAOYSA-N
XLogP4.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-propan-2-yl-4-(propan-2-ylamino)benzamide
CID 100619240
3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide
CID 82988504
4-[(2,3-dichlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180593
3-amino-4-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100635916
4-(2,3-dichloroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201470
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-amino-4-(2,4-dichloroanilino)-N-methylbenzamide
CID 82988433
1-N-(2,3-dichlorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29067483
3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
CID 82989111
3-amino-N-(1-amino-1-oxopropan-2-yl)-4-chlorobenzamide
CID 43545232
3-amino-4-(2,3-difluoroanilino)-N-methylbenzamide
CID 82988443
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide (CID 100628080) is 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Nc2cccc(Cl)c2Cl)c(N)c1.
What is the InChIKey of 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide?
The InChIKey is RVQUFWGCJPBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-9(2)20-16(22)10-6-7-13(12(19)8-10)21-14-5-3-4-11(17)15(14)18/h3-9,21H,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide?
3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide has a molecular weight of 338.24 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,3-dichloroanilino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 100628080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).