3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide

C14H19ClN2O — CID 114107092

IUPAC3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
SMILESCCC1(CNC(=O)c2cccc(N)c2Cl)CCC1
InChIInChI=1S/C14H19ClN2O/c1-2-14(7-4-8-14)9-17-13(18)10-5-3-6-11(16)12(10)15/h3,5-6H,2,4,7-9,16H2,1H3,(H,17,18)
InChIKeyTYRMNJHOVNLKNY-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.23
Rot. Bonds4

About 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide

3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide (PubChem CID 114107092) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
PubChem CID114107092
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
SMILESCCC1(CNC(=O)c2cccc(N)c2Cl)CCC1
InChIInChI=1S/C14H19ClN2O/c1-2-14(7-4-8-14)9-17-13(18)10-5-3-6-11(16)12(10)15/h3,5-6H,2,4,7-9,16H2,1H3,(H,17,18)
InChIKeyTYRMNJHOVNLKNY-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098998
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]benzamide
CID 119945992
2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
CID 114107082
N-[(1-ethylcyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103766399
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
N-(1-adamantylmethyl)-3-amino-2-chlorobenzamide
CID 20670051
N-[(1-ethylcyclobutyl)methyl]-1H-indole-4-carboxamide
CID 103741634
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
3-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 112574891
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098995
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 115930537

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide (CID 114107092) is 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide is CCC1(CNC(=O)c2cccc(N)c2Cl)CCC1.
What is the InChIKey of 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide?
The InChIKey is TYRMNJHOVNLKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-14(7-4-8-14)9-17-13(18)10-5-3-6-11(16)12(10)15/h3,5-6H,2,4,7-9,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide?
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide has a molecular weight of 266.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 114107092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).