N-tert-butyl-3-(3-chloroanilino)propanamide

C13H19ClN2O — CID 109031344

IUPACN-tert-butyl-3-(3-chloroanilino)propanamide
SMILESCC(C)(C)NC(=O)CCNc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)16-12(17)7-8-15-11-6-4-5-10(14)9-11/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyLEZSAEATDCRMBB-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.06
Rot. Bonds4

About N-tert-butyl-3-(3-chloroanilino)propanamide

N-tert-butyl-3-(3-chloroanilino)propanamide (PubChem CID 109031344) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-tert-butyl-3-(3-chloroanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3-chloroanilino)propanamide
PubChem CID109031344
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-tert-butyl-3-(3-chloroanilino)propanamide
SMILESCC(C)(C)NC(=O)CCNc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-13(2,3)16-12(17)7-8-15-11-6-4-5-10(14)9-11/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyLEZSAEATDCRMBB-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(3-chloroanilino)-N-(2,3-dichlorophenyl)propanamide
CID 109038091
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
4-(3-chloroanilino)butanamide
CID 67066977
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-fluorobenzamide
CID 115609101
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-chloroanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(3-chloroanilino)propanamide (CID 109031344) is N-tert-butyl-3-(3-chloroanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(3-chloroanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(3-chloroanilino)propanamide is CC(C)(C)NC(=O)CCNc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-3-(3-chloroanilino)propanamide?
The InChIKey is LEZSAEATDCRMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-13(2,3)16-12(17)7-8-15-11-6-4-5-10(14)9-11/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-3-(3-chloroanilino)propanamide?
N-tert-butyl-3-(3-chloroanilino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-chloroanilino)propanamide is sourced from PubChem (CID 109031344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).