5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide

C15H21ClN2O2 — CID 65123464

IUPAC5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCC2(O)CCCCCC2)c1
InChIInChI=1S/C15H21ClN2O2/c16-13-6-5-11(17)9-12(13)14(19)18-10-15(20)7-3-1-2-4-8-15/h5-6,9,20H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyORRRWCLAMWVHBY-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.74
Rot. Bonds3

About 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide

5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 65123464) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID65123464
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCC2(O)CCCCCC2)c1
InChIInChI=1S/C15H21ClN2O2/c16-13-6-5-11(17)9-12(13)14(19)18-10-15(20)7-3-1-2-4-8-15/h5-6,9,20H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyORRRWCLAMWVHBY-UHFFFAOYSA-N
XLogP2.74
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.74
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

4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-(5-methylpyrazin-2-yl)benzamide
CID 46887562
2-chloro-4,5-difluoro-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445199

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 65123464) is 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide is Nc1ccc(Cl)c(C(=O)NCC2(O)CCCCCC2)c1.
What is the InChIKey of 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is ORRRWCLAMWVHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-6-5-11(17)9-12(13)14(19)18-10-15(20)7-3-1-2-4-8-15/h5-6,9,20H,1-4,7-8,10,17H2,(H,18,19).
What are the key properties of 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 65123464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).