3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide

C14H17BrClNO3 — CID 110631720

IUPAC3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(CO)CCOCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H17BrClNO3/c15-11-7-10(1-2-12(11)16)13(19)17-8-14(9-18)3-5-20-6-4-14/h1-2,7,18H,3-6,8-9H2,(H,17,19)
InChIKeyHHXBOSKGCLMVHU-UHFFFAOYSA-N
MW362.65 g/mol
LogP2.62
Rot. Bonds4

About 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide

3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide (PubChem CID 110631720) has the molecular formula C14H17BrClNO3 and a molecular weight of 362.65 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
PubChem CID110631720
Molecular FormulaC14H17BrClNO3
Molecular Weight362.65 g/mol
Exact Mass361.01
IUPAC Name3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(CO)CCOCC1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H17BrClNO3/c15-11-7-10(1-2-12(11)16)13(19)17-8-14(9-18)3-5-20-6-4-14/h1-2,7,18H,3-6,8-9H2,(H,17,19)
InChIKeyHHXBOSKGCLMVHU-UHFFFAOYSA-N
XLogP2.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
3-bromo-4-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]benzamide
CID 107994133
6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
4-[[(4-chloro-3-fluorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 106703986
3-bromo-4-chloro-N-(1-methylcyclohexyl)benzamide
CID 107999496
N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
4-bromo-3-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 113294779
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 110416759

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide (CID 110631720) is 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide is O=C(NCC1(CO)CCOCC1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The InChIKey is HHXBOSKGCLMVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3/c15-11-7-10(1-2-12(11)16)13(19)17-8-14(9-18)3-5-20-6-4-14/h1-2,7,18H,3-6,8-9H2,(H,17,19).
What are the key properties of 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide has a molecular weight of 362.65 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 110631720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).