3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

C16H17ClN2O2 — CID 61003064

IUPAC3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)13-5-6-14(17)15(18)8-13/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyMGEHAXFPNPPTFW-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.00
Rot. Bonds5

About 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 61003064) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID61003064
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)13-5-6-14(17)15(18)8-13/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyMGEHAXFPNPPTFW-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 60789641
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
[3-[(3-amino-4-chlorobenzoyl)oxymethyl]phenyl]methyl 3-amino-4-chlorobenzoate
CID 16578140
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (CID 61003064) is 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is COCc1cccc(CNC(=O)c2ccc(Cl)c(N)c2)c1.
What is the InChIKey of 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is MGEHAXFPNPPTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-10-12-4-2-3-11(7-12)9-19-16(20)13-5-6-14(17)15(18)8-13/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 61003064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).