3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid

C18H18ClNO5 — CID 28677113

IUPAC3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO5/c1-18(2,25-13-7-5-12(19)6-8-13)17(23)20-14-10-11(16(21)22)4-9-15(14)24-3/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyOIYCSWGCANJNAJ-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.84
Rot. Bonds6

About 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid

3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid (PubChem CID 28677113) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
PubChem CID28677113
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO5/c1-18(2,25-13-7-5-12(19)6-8-13)17(23)20-14-10-11(16(21)22)4-9-15(14)24-3/h4-10H,1-3H3,(H,20,23)(H,21,22)
InChIKeyOIYCSWGCANJNAJ-UHFFFAOYSA-N
XLogP3.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
N-(5-amino-2-methoxyphenyl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 50878617
2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
CID 154646082
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 30307954
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733665
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 95733664
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
CID 1257164
3-[[(Z)-3-(4-chlorophenyl)prop-2-enyl]amino]-4-methoxybenzoic acid
CID 98339863

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid?
The IUPAC name of 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid (CID 28677113) is 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid?
The canonical SMILES for 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid?
The InChIKey is OIYCSWGCANJNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-18(2,25-13-7-5-12(19)6-8-13)17(23)20-14-10-11(16(21)22)4-9-15(14)24-3/h4-10H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid?
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid has a molecular weight of 363.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-methoxybenzoic acid is sourced from PubChem (CID 28677113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).