2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide

C14H22ClN3O — CID 107466147

IUPAC2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C)c1cc(Cl)ccc1N
InChIInChI=1S/C14H22ClN3O/c1-4-5-10(2)17-14(19)9-18(3)13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyAMXCRPOCWYXVLO-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.66
Rot. Bonds6

About 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide

2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide (PubChem CID 107466147) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
PubChem CID107466147
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(C)c1cc(Cl)ccc1N
InChIInChI=1S/C14H22ClN3O/c1-4-5-10(2)17-14(19)9-18(3)13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyAMXCRPOCWYXVLO-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-chloro-N-methylanilino)-N-(cyanomethyl)acetamide
CID 107466058
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016
2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107466274
ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate
CID 107466129
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
CID 61490250
2-(3-chloro-N-[2-oxo-2-(pentan-2-ylamino)ethyl]anilino)acetic acid
CID 60833216
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
2-(2-carbamothioyl-5-chloro-N-methylanilino)-N-ethylacetamide
CID 63092484
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 126275595

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide (CID 107466147) is 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(C)c1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide?
The InChIKey is AMXCRPOCWYXVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-5-10(2)17-14(19)9-18(3)13-8-11(15)6-7-12(13)16/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide?
2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide has a molecular weight of 283.80 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 107466147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).