N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide

C18H20BrNO2 — CID 55770837

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C18H20BrNO2/c1-3-11-22-16-9-6-8-14(12-16)18(21)20(2)13-15-7-4-5-10-17(15)19/h4-10,12H,3,11,13H2,1-2H3
InChIKeyCOSSAMHSTRTWQD-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.51
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide

N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide (PubChem CID 55770837) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
PubChem CID55770837
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C18H20BrNO2/c1-3-11-22-16-9-6-8-14(12-16)18(21)20(2)13-15-7-4-5-10-17(15)19/h4-10,12H,3,11,13H2,1-2H3
InChIKeyCOSSAMHSTRTWQD-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-3-cyano-N-methylbenzamide
CID 34867585
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236
N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
N-(1-aminopropan-2-yl)-3-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 119581459
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
CID 55772522

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide (CID 55770837) is N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(C)Cc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide?
The InChIKey is COSSAMHSTRTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-3-11-22-16-9-6-8-14(12-16)18(21)20(2)13-15-7-4-5-10-17(15)19/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide?
N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide is sourced from PubChem (CID 55770837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).