5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

C14H18Cl2N2O2 — CID 107185637

IUPAC5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-6-9(17)5-10(12(11)16)13(20)18-7-14(8-19)3-1-2-4-14/h5-6,19H,1-4,7-8,17H2,(H,18,20)
InChIKeyBKZYGMQUXCBMGW-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.86
Rot. Bonds4

About 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide

5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (PubChem CID 107185637) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
PubChem CID107185637
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCC2(CO)CCCC2)c1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-6-9(17)5-10(12(11)16)13(20)18-7-14(8-19)3-1-2-4-14/h5-6,19H,1-4,7-8,17H2,(H,18,20)
InChIKeyBKZYGMQUXCBMGW-UHFFFAOYSA-N
XLogP2.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098995
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357752
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
CID 115357766
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 115453985
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide (CID 107185637) is 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCC2(CO)CCCC2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
The InChIKey is BKZYGMQUXCBMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-6-9(17)5-10(12(11)16)13(20)18-7-14(8-19)3-1-2-4-14/h5-6,19H,1-4,7-8,17H2,(H,18,20).
What are the key properties of 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide?
5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide is sourced from PubChem (CID 107185637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).