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

C15H21ClN2O2 — CID 115540784

IUPAC2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H21ClN2O2/c16-12-7-5-6-11(13(12)17)14(19)18-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10,17H2,(H,18,19)
InChIKeyDMARHOPYOLCANL-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.74
Rot. Bonds3

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

2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 115540784) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID115540784
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C15H21ClN2O2/c16-12-7-5-6-11(13(12)17)14(19)18-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10,17H2,(H,18,19)
InChIKeyDMARHOPYOLCANL-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

3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098998
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
CID 104834640
2-amino-3-chloro-N-propylbenzamide
CID 80503191

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 115540784) is 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide is Nc1c(Cl)cccc1C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is DMARHOPYOLCANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-12-7-5-6-11(13(12)17)14(19)18-10-15(20)8-3-1-2-4-9-15/h5-7,20H,1-4,8-10,17H2,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
2-amino-3-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 2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 115540784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).