N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide

C14H12BrF2NO3S — CID 32773874

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(Br)s2)ccc1OC(F)F
InChIInChI=1S/C14H12BrF2NO3S/c1-20-11-6-8(2-4-10(11)21-14(16)17)13(19)18-7-9-3-5-12(15)22-9/h2-6,14H,7H2,1H3,(H,18,19)
InChIKeyGDJOXBVDNLTNNN-UHFFFAOYSA-N
MW392.22 g/mol
LogP4.05
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 32773874) has the molecular formula C14H12BrF2NO3S and a molecular weight of 392.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID32773874
Molecular FormulaC14H12BrF2NO3S
Molecular Weight392.22 g/mol
Exact Mass390.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2ccc(Br)s2)ccc1OC(F)F
InChIInChI=1S/C14H12BrF2NO3S/c1-20-11-6-8(2-4-10(11)21-14(16)17)13(19)18-7-9-3-5-12(15)22-9/h2-6,14H,7H2,1H3,(H,18,19)
InChIKeyGDJOXBVDNLTNNN-UHFFFAOYSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
CID 80979726
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 32775718

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 32773874) is N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCc2ccc(Br)s2)ccc1OC(F)F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is GDJOXBVDNLTNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO3S/c1-20-11-6-8(2-4-10(11)21-14(16)17)13(19)18-7-9-3-5-12(15)22-9/h2-6,14H,7H2,1H3,(H,18,19).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 392.22 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 32773874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).