2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide

C13H18ClN3O — CID 54989261

IUPAC2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide
SMILESNC(=O)CN(c1c(N)cccc1Cl)C1CCCC1
InChIInChI=1S/C13H18ClN3O/c14-10-6-3-7-11(15)13(10)17(8-12(16)18)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H2,16,18)
InChIKeyZSRXRVGZYDKRDQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.16
Rot. Bonds4

About 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide

2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide (PubChem CID 54989261) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide
PubChem CID54989261
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide
SMILESNC(=O)CN(c1c(N)cccc1Cl)C1CCCC1
InChIInChI=1S/C13H18ClN3O/c14-10-6-3-7-11(15)13(10)17(8-12(16)18)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H2,16,18)
InChIKeyZSRXRVGZYDKRDQ-UHFFFAOYSA-N
XLogP2.16
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.16
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-6-chloro-N-cyclobutylanilino)ethanol
CID 102859508
2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine
CID 61440812
2-(3-amino-N-cyclopentyl-4-methylanilino)acetamide
CID 55130364
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
CID 107347341
2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide
CID 81144136
2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035717
2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108810
2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
2-[(2-amino-6-chlorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62922607
3-chloro-1-N-cyclopentyl-1-N-ethylbenzene-1,2-diamine
CID 104834130
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide?
The IUPAC name of 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide (CID 54989261) is 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide.
What is the SMILES notation for 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide?
The canonical SMILES for 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide is NC(=O)CN(c1c(N)cccc1Cl)C1CCCC1.
What is the InChIKey of 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide?
The InChIKey is ZSRXRVGZYDKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-10-6-3-7-11(15)13(10)17(8-12(16)18)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H2,16,18).
What are the key properties of 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide?
2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide has a molecular weight of 267.76 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloro-N-cyclopentylanilino)acetamide is sourced from PubChem (CID 54989261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).