N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide

C18H13BrClNO2 — CID 539400

IUPACN-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Br)c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H13BrClNO2/c1-11(22)21-12-6-8-18(16(20)10-12)23-17-9-7-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22)
InChIKeySQKSPXVZANKQQO-UHFFFAOYSA-N
MW390.66 g/mol
LogP6.01
Rot. Bonds3

About N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide

N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide (PubChem CID 539400) has the molecular formula C18H13BrClNO2 and a molecular weight of 390.66 g/mol. Its IUPAC name is N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide
PubChem CID539400
Molecular FormulaC18H13BrClNO2
Molecular Weight390.66 g/mol
Exact Mass388.98
IUPAC NameN-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Br)c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H13BrClNO2/c1-11(22)21-12-6-8-18(16(20)10-12)23-17-9-7-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22)
InChIKeySQKSPXVZANKQQO-UHFFFAOYSA-N
XLogP6.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-hydroxybenzamide
CID 3555435
N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-2-(2-methoxyphenyl)acetamide
CID 23792360
N-[4-[(4-bromo-3-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954823
N-[4-(1-bromonaphthalen-2-yl)oxy-3-chlorophenyl]-4-hydroxybenzamide
CID 162650394
(2S)-2-(4-acetamido-2-chlorophenoxy)propanoic acid
CID 67926622
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
S-methyl N-(3-chloro-4-phenoxyphenyl)carbamothioate
CID 12806991
ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
CID 132591036
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide?
The IUPAC name of N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide (CID 539400) is N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide?
The canonical SMILES for N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(Br)c3ccccc23)c(Cl)c1.
What is the InChIKey of N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide?
The InChIKey is SQKSPXVZANKQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNO2/c1-11(22)21-12-6-8-18(16(20)10-12)23-17-9-7-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22).
What are the key properties of N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide?
N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide has a molecular weight of 390.66 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromonaphthalen-1-yl)oxy-3-chlorophenyl]acetamide is sourced from PubChem (CID 539400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).