3-(4-bromophenyl)-N-(oxan-4-yl)propanamide

C14H18BrNO2 — CID 175666639

IUPAC3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
SMILESO=C(CCc1ccc(Br)cc1)NC1CCOCC1
InChIInChI=1S/C14H18BrNO2/c15-12-4-1-11(2-5-12)3-6-14(17)16-13-7-9-18-10-8-13/h1-2,4-5,13H,3,6-10H2,(H,16,17)
InChIKeyWVDIYSQPKUNXQP-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.68
Rot. Bonds4

About 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide

3-(4-bromophenyl)-N-(oxan-4-yl)propanamide (PubChem CID 175666639) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
PubChem CID175666639
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
SMILESO=C(CCc1ccc(Br)cc1)NC1CCOCC1
InChIInChI=1S/C14H18BrNO2/c15-12-4-1-11(2-5-12)3-6-14(17)16-13-7-9-18-10-8-13/h1-2,4-5,13H,3,6-10H2,(H,16,17)
InChIKeyWVDIYSQPKUNXQP-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[[(4R)-oxepan-4-yl]amino]-3-oxopropyl]benzoic acid
CID 129402468
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CID 63099192
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
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3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate
CID 173014572
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
3-(4-bromo-2-chlorophenyl)-N-(oxolan-3-yl)propanamide
CID 172652075
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
CID 115341599
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
3-amino-N-(oxan-4-yl)propanamide
CID 43610037

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide (CID 175666639) is 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide is O=C(CCc1ccc(Br)cc1)NC1CCOCC1.
What is the InChIKey of 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide?
The InChIKey is WVDIYSQPKUNXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-4-1-11(2-5-12)3-6-14(17)16-13-7-9-18-10-8-13/h1-2,4-5,13H,3,6-10H2,(H,16,17).
What are the key properties of 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide?
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide has a molecular weight of 312.21 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 175666639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).