N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide

C24H22ClN3O2 — CID 60587877

IUPACN-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-16-3-5-17(6-4-16)24(18-8-11-21(30-2)12-9-18)27-15-23(29)28-20-10-7-19(14-26)22(25)13-20/h3-13,24,27H,15H2,1-2H3,(H,28,29)
InChIKeySOWNWWRFXUORQD-UHFFFAOYSA-N
MW419.91 g/mol
LogP4.85
Rot. Bonds7

About N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide

N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide (PubChem CID 60587877) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide
PubChem CID60587877
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22ClN3O2/c1-16-3-5-17(6-4-16)24(18-8-11-21(30-2)12-9-18)27-15-23(29)28-20-10-7-19(14-26)22(25)13-20/h3-13,24,27H,15H2,1-2H3,(H,28,29)
InChIKeySOWNWWRFXUORQD-UHFFFAOYSA-N
XLogP4.85
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide with MolForge

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Related Compounds

4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4879754
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
N-(3-chloro-4-cyanophenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652495
N-(3-chloro-4-cyanophenyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586008
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611
methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate
CID 9392902
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
N-(3-cyanothiophen-2-yl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393472
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 7868175
N-(3-chloro-4-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 18208967
[1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 46622117

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide (CID 60587877) is N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide is COc1ccc(C(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide?
The InChIKey is SOWNWWRFXUORQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-16-3-5-17(6-4-16)24(18-8-11-21(30-2)12-9-18)27-15-23(29)28-20-10-7-19(14-26)22(25)13-20/h3-13,24,27H,15H2,1-2H3,(H,28,29).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide has a molecular weight of 419.91 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 60587877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).