2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide

C14H19ClN2O2 — CID 114946703

IUPAC2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H19ClN2O2/c1-17(9-14(19)6-2-3-7-14)13(18)11-8-10(15)4-5-12(11)16/h4-5,8,19H,2-3,6-7,9,16H2,1H3
InChIKeyWAWOYYQDMZDLMP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide

2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide (PubChem CID 114946703) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
PubChem CID114946703
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H19ClN2O2/c1-17(9-14(19)6-2-3-7-14)13(18)11-8-10(15)4-5-12(11)16/h4-5,8,19H,2-3,6-7,9,16H2,1H3
InChIKeyWAWOYYQDMZDLMP-UHFFFAOYSA-N
XLogP2.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.30
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-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
CID 113322275
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947133
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
CID 115869317
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-4-iodo-2-methoxy-N-methylbenzamide
CID 115759730

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide (CID 114946703) is 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide is CN(CC1(O)CCCC1)C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
The InChIKey is WAWOYYQDMZDLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(9-14(19)6-2-3-7-14)13(18)11-8-10(15)4-5-12(11)16/h4-5,8,19H,2-3,6-7,9,16H2,1H3.
What are the key properties of 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide?
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide has a molecular weight of 282.77 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 114946703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).