N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide

C11H12BrNO — CID 151346913

IUPACN-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide
SMILESCC(=O)NC(C)=Cc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-8(13-9(2)14)7-10-3-5-11(12)6-4-10/h3-7H,1-2H3,(H,13,14)
InChIKeyOLQXOYAASLTYCU-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.95
Rot. Bonds2

About N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide

N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide (PubChem CID 151346913) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide
PubChem CID151346913
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC NameN-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide
SMILESCC(=O)NC(C)=Cc1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c1-8(13-9(2)14)7-10-3-5-11(12)6-4-10/h3-7H,1-2H3,(H,13,14)
InChIKeyOLQXOYAASLTYCU-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (E)-3-(4-bromophenyl)-2-methylprop-2-enoate
CID 16664756
(Z)-3-bromo-4-(4-bromophenyl)but-3-en-2-one
CID 132550401
3-(4-bromophenyl)-2-methylprop-2-enal
CID 71356769
4-(4-bromophenyl)-3-[(4-bromophenyl)methyl]but-3-en-2-one
CID 67010643
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
methyl (2E)-2-[(4-bromophenyl)methylidene]-4-oxopentanoate
CID 16664755
3-(4-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79341618
methyl (E)-2-(acetyloxymethyl)-3-(4-bromophenyl)prop-2-enoate
CID 42611572
2-acetamido-3-(4-bromophenyl)but-2-enoic acid
CID 54258491
ethyl (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanoate
CID 5388614
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
(E)-2-acetamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 5399285

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide (CID 151346913) is N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide is CC(=O)NC(C)=Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide?
The InChIKey is OLQXOYAASLTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-8(13-9(2)14)7-10-3-5-11(12)6-4-10/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide?
N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide has a molecular weight of 254.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)prop-1-en-2-yl]acetamide is sourced from PubChem (CID 151346913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).