3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C14H18BrNO2 — CID 80717586

IUPAC3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCC1(CO)CC1
InChIInChI=1S/C14H18BrNO2/c15-12-3-1-2-11(8-12)4-5-13(18)16-9-14(10-17)6-7-14/h1-3,8,17H,4-7,9-10H2,(H,16,18)
InChIKeyMVUWUWMQHGNIRE-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.27
Rot. Bonds6

About 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 80717586) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID80717586
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCC1(CO)CC1
InChIInChI=1S/C14H18BrNO2/c15-12-3-1-2-11(8-12)4-5-13(18)16-9-14(10-17)6-7-14/h1-3,8,17H,4-7,9-10H2,(H,16,18)
InChIKeyMVUWUWMQHGNIRE-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449320
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544919
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
4-[[3-(3-bromophenyl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120543231
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891255
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684
3-(3-bromophenyl)-N-[(3-hydroxythiolan-3-yl)methyl]propanamide
CID 111597105
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
1-[3-(3-bromophenyl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450964
2-[[2-[3-(3-bromophenyl)propanoylamino]acetyl]amino]acetic acid
CID 43387616

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 80717586) is 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is O=C(CCc1cccc(Br)c1)NCC1(CO)CC1.
What is the InChIKey of 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is MVUWUWMQHGNIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-3-1-2-11(8-12)4-5-13(18)16-9-14(10-17)6-7-14/h1-3,8,17H,4-7,9-10H2,(H,16,18).
What are the key properties of 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 312.21 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 80717586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).