3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

C12H15ClN2O2 — CID 115453985

IUPAC3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESNc1cc(Cl)cc(C(=O)NCC2(CO)CC2)c1
InChIInChI=1S/C12H15ClN2O2/c13-9-3-8(4-10(14)5-9)11(17)15-6-12(7-16)1-2-12/h3-5,16H,1-2,6-7,14H2,(H,15,17)
InChIKeyCAPJHIXVOCKQKS-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.42
Rot. Bonds4

About 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide

3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (PubChem CID 115453985) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
PubChem CID115453985
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
SMILESNc1cc(Cl)cc(C(=O)NCC2(CO)CC2)c1
InChIInChI=1S/C12H15ClN2O2/c13-9-3-8(4-10(14)5-9)11(17)15-6-12(7-16)1-2-12/h3-5,16H,1-2,6-7,14H2,(H,15,17)
InChIKeyCAPJHIXVOCKQKS-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.42
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

3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357752
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114095261
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methylsulfonylbenzamide
CID 115454014
3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099030
3-amino-5-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179693
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 107185637
3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide (CID 115453985) is 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is Nc1cc(Cl)cc(C(=O)NCC2(CO)CC2)c1.
What is the InChIKey of 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
The InChIKey is CAPJHIXVOCKQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-3-8(4-10(14)5-9)11(17)15-6-12(7-16)1-2-12/h3-5,16H,1-2,6-7,14H2,(H,15,17).
What are the key properties of 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide?
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide has a molecular weight of 254.72 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 115453985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).