4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide

C22H27ClN2O3 — CID 55778208

IUPAC4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCc1cc(OC(C)C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)ccc1C(C)C
InChIInChI=1S/C22H27ClN2O3/c1-13(2)18-9-8-17(11-14(18)3)28-15(4)21(26)24-20-12-16(7-10-19(20)23)22(27)25(5)6/h7-13,15H,1-6H3,(H,24,26)
InChIKeyRUCVPZGNYIEWCR-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.88
Rot. Bonds6

About 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide

4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide (PubChem CID 55778208) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
PubChem CID55778208
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCc1cc(OC(C)C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)ccc1C(C)C
InChIInChI=1S/C22H27ClN2O3/c1-13(2)18-9-8-17(11-14(18)3)28-15(4)21(26)24-20-12-16(7-10-19(20)23)22(27)25(5)6/h7-13,15H,1-6H3,(H,24,26)
InChIKeyRUCVPZGNYIEWCR-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
CID 95667083
4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 87004483
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
methyl 4-chloro-3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 98667710
methyl 4-chloro-3-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanoylamino]benzoate
CID 133262134
N-(2-benzoyl-4-chlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 53266932
ethyl 3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methylbenzoate
CID 132656492
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
methyl 4-chloro-3-[[(2S)-2-phenoxypropanoyl]amino]benzoate
CID 1041019
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 53266514
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide (CID 55778208) is 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide is Cc1cc(OC(C)C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)ccc1C(C)C.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide?
The InChIKey is RUCVPZGNYIEWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-13(2)18-9-8-17(11-14(18)3)28-15(4)21(26)24-20-12-16(7-10-19(20)23)22(27)25(5)6/h7-13,15H,1-6H3,(H,24,26).
What are the key properties of 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide?
4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide has a molecular weight of 402.92 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 55778208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).