4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide

C25H19BrClNO3 — CID 50882559

IUPAC4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc2ccccc2c1Br
InChIInChI=1S/C25H19BrClNO3/c1-31-24-20(13-16-9-5-6-10-18(16)22(24)26)25(30)28-21-12-11-17(27)14-19(21)23(29)15-7-3-2-4-8-15/h2-14,23,29H,1H3,(H,28,30)
InChIKeyFUEKVNFTYCPBLT-UHFFFAOYSA-N
MW496.79 g/mol
LogP6.60
Rot. Bonds5

About 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide

4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 50882559) has the molecular formula C25H19BrClNO3 and a molecular weight of 496.79 g/mol. Its IUPAC name is 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID50882559
Molecular FormulaC25H19BrClNO3
Molecular Weight496.79 g/mol
Exact Mass495.02
IUPAC Name4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc2ccccc2c1Br
InChIInChI=1S/C25H19BrClNO3/c1-31-24-20(13-16-9-5-6-10-18(16)22(24)26)25(30)28-21-12-11-17(27)14-19(21)23(29)15-7-3-2-4-8-15/h2-14,23,29H,1H3,(H,28,30)
InChIKeyFUEKVNFTYCPBLT-UHFFFAOYSA-N
XLogP6.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.79
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 95733480
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 50882541
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
5-bromo-N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733477
4-bromo-3-methoxy-N-(2,4,5-trichlorophenyl)naphthalene-2-carboxamide
CID 17111249
5-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]naphthalene-1-carboxamide
CID 95733474
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 28668842

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide (CID 50882559) is 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide is COc1c(C(=O)Nc2ccc(Cl)cc2C(O)c2ccccc2)cc2ccccc2c1Br.
What is the InChIKey of 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is FUEKVNFTYCPBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrClNO3/c1-31-24-20(13-16-9-5-6-10-18(16)22(24)26)25(30)28-21-12-11-17(27)14-19(21)23(29)15-7-3-2-4-8-15/h2-14,23,29H,1H3,(H,28,30).
What are the key properties of 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide?
4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 496.79 g/mol, XLogP of 6.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 50882559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).