3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide

C16H25ClN2O — CID 79483264

IUPAC3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C16H25ClN2O/c1-5-13(6-2)19(10-11(3)4)16(20)12-7-8-14(17)15(18)9-12/h7-9,11,13H,5-6,10,18H2,1-4H3
InChIKeyMPTAKEZBMYCSLB-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.21
Rot. Bonds6

About 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide

3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide (PubChem CID 79483264) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
PubChem CID79483264
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C16H25ClN2O/c1-5-13(6-2)19(10-11(3)4)16(20)12-7-8-14(17)15(18)9-12/h7-9,11,13H,5-6,10,18H2,1-4H3
InChIKeyMPTAKEZBMYCSLB-UHFFFAOYSA-N
XLogP4.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
2-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79501668
2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79483241
4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490314
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
3-amino-4-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 63221612

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide (CID 79483264) is 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CC(C)C)C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The InChIKey is MPTAKEZBMYCSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-5-13(6-2)19(10-11(3)4)16(20)12-7-8-14(17)15(18)9-12/h7-9,11,13H,5-6,10,18H2,1-4H3.
What are the key properties of 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide has a molecular weight of 296.84 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 79483264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).