N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide

C14H14Br2N2O — CID 143828828

IUPACN-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)ccc1N[C@H]1C=CC(Br)=CC1
InChIInChI=1S/C14H14Br2N2O/c1-9(19)17-14-8-11(16)4-7-13(14)18-12-5-2-10(15)3-6-12/h2-5,7-8,12,18H,6H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyYETIRGJZXVHRHL-LBPRGKRZSA-N
MW386.09 g/mol
LogP4.43
Rot. Bonds3

About N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide

N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide (PubChem CID 143828828) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide
PubChem CID143828828
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC NameN-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)ccc1N[C@H]1C=CC(Br)=CC1
InChIInChI=1S/C14H14Br2N2O/c1-9(19)17-14-8-11(16)4-7-13(14)18-12-5-2-10(15)3-6-12/h2-5,7-8,12,18H,6H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyYETIRGJZXVHRHL-LBPRGKRZSA-N
XLogP4.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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potassium 2-acetamido-4-bromobenzoate
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N-[5-bromo-2-(dimethylamino)phenyl]acetamide
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N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide?
The IUPAC name of N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide (CID 143828828) is N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide is CC(=O)Nc1cc(Br)ccc1N[C@H]1C=CC(Br)=CC1.
What is the InChIKey of N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide?
The InChIKey is YETIRGJZXVHRHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-9(19)17-14-8-11(16)4-7-13(14)18-12-5-2-10(15)3-6-12/h2-5,7-8,12,18H,6H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide?
N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide has a molecular weight of 386.09 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[[(1R)-4-bromocyclohexa-2,4-dien-1-yl]amino]phenyl]acetamide is sourced from PubChem (CID 143828828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).