N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide

C14H20ClN3O2 — CID 102860261

IUPACN-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
SMILESNc1cc(NC(=O)CN(CCO)C2CCC2)ccc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-12-5-4-10(8-13(12)16)17-14(20)9-18(6-7-19)11-2-1-3-11/h4-5,8,11,19H,1-3,6-7,9,16H2,(H,17,20)
InChIKeyRLWLTBPAJLUSKX-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.71
Rot. Bonds6

About N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide

N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide (PubChem CID 102860261) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
PubChem CID102860261
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
SMILESNc1cc(NC(=O)CN(CCO)C2CCC2)ccc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-12-5-4-10(8-13(12)16)17-14(20)9-18(6-7-19)11-2-1-3-11/h4-5,8,11,19H,1-3,6-7,9,16H2,(H,17,20)
InChIKeyRLWLTBPAJLUSKX-UHFFFAOYSA-N
XLogP1.71
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 78825056
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 110881770
N-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60509972
N-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
N-(3-amino-4-chlorophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478590
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(3-chloro-4-fluorophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111431998

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide (CID 102860261) is N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide is Nc1cc(NC(=O)CN(CCO)C2CCC2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is RLWLTBPAJLUSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-12-5-4-10(8-13(12)16)17-14(20)9-18(6-7-19)11-2-1-3-11/h4-5,8,11,19H,1-3,6-7,9,16H2,(H,17,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide?
N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 102860261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).