4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide

C15H21ClN2O3 — CID 119801767

IUPAC4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C15H21ClN2O3/c1-9(10-3-5-21-6-4-10)18-15(19)11-7-12(16)13(17)8-14(11)20-2/h7-10H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyFPMADMPPVNITQM-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.48
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide

4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide (PubChem CID 119801767) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
PubChem CID119801767
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C15H21ClN2O3/c1-9(10-3-5-21-6-4-10)18-15(19)11-7-12(16)13(17)8-14(11)20-2/h7-10H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyFPMADMPPVNITQM-UHFFFAOYSA-N
XLogP2.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 105060780
4-amino-5-chloro-N-(5-hydroxypentan-2-yl)-2-methoxybenzamide
CID 119790445
4-amino-5-chloro-N-(5,5-dimethylhexan-2-yl)-2-methoxybenzamide;hydrochloride
CID 119796577
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-(oxan-4-yl)ethyl]urea
CID 99841324
4-amino-5-chloro-N-cyclohexyl-2-methoxybenzamide;hydrochloride
CID 119670043
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
4-amino-5-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methoxybenzamide;hydrochloride
CID 119722083
2-chloro-5-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 106502198
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide (CID 119801767) is 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NC(C)C1CCOCC1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide?
The InChIKey is FPMADMPPVNITQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-9(10-3-5-21-6-4-10)18-15(19)11-7-12(16)13(17)8-14(11)20-2/h7-10H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide has a molecular weight of 312.80 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 119801767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).