N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide

C21H20Cl2N2O4 — CID 21328754

IUPACN-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(Cc2ccc(N(C(C)=O)C(C)=O)cc2Cl)c(Cl)c1
InChIInChI=1S/C21H20Cl2N2O4/c1-12(26)24(13(2)27)18-7-5-16(20(22)10-18)9-17-6-8-19(11-21(17)23)25(14(3)28)15(4)29/h5-8,10-11H,9H2,1-4H3
InChIKeyDLVQSOPNUDYLRI-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.38
Rot. Bonds4

About N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide

N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide (PubChem CID 21328754) has the molecular formula C21H20Cl2N2O4 and a molecular weight of 435.31 g/mol. Its IUPAC name is N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide
PubChem CID21328754
Molecular FormulaC21H20Cl2N2O4
Molecular Weight435.31 g/mol
Exact Mass434.08
IUPAC NameN-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(Cc2ccc(N(C(C)=O)C(C)=O)cc2Cl)c(Cl)c1
InChIInChI=1S/C21H20Cl2N2O4/c1-12(26)24(13(2)27)18-7-5-16(20(22)10-18)9-17-6-8-19(11-21(17)23)25(14(3)28)15(4)29/h5-8,10-11H,9H2,1-4H3
InChIKeyDLVQSOPNUDYLRI-UHFFFAOYSA-N
XLogP4.38
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-4-(chloromethyl)phenyl]-methylcarbamic acid
CID 69079000
N-[4-(aminomethyl)-3-chlorophenyl]-N-(3-chloropropyl)acetamide
CID 151657137
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
CID 21400337
N'-[3-chloro-4-[(2-chlorophenyl)methyl]phenyl]-N,N,N'-triethylethane-1,2-diamine
CID 69464489
N-acetyl-N-(6-aminonaphthalen-2-yl)acetamide
CID 59942778
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
3-chloro-N,N-dimethyl-4-[2-(methylamino)propyl]aniline
CID 10421259
N-(3-chloro-4-hydroxyphenyl)-N-thiophen-3-ylacetamide
CID 70449642
bis[2-chloro-4-(diethylamino)phenyl]methanone
CID 139673948
1-(2-chloro-4-methylsulfanylphenyl)propan-2-one
CID 130894787
1-[3-chloro-4-(hydroxymethyl)phenyl]-2-methylpropan-1-one
CID 58357330

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide?
The IUPAC name of N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide (CID 21328754) is N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide?
The canonical SMILES for N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide is CC(=O)N(C(C)=O)c1ccc(Cc2ccc(N(C(C)=O)C(C)=O)cc2Cl)c(Cl)c1.
What is the InChIKey of N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide?
The InChIKey is DLVQSOPNUDYLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O4/c1-12(26)24(13(2)27)18-7-5-16(20(22)10-18)9-17-6-8-19(11-21(17)23)25(14(3)28)15(4)29/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide?
N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide has a molecular weight of 435.31 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-chloro-4-[[2-chloro-4-(diacetylamino)phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 21328754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).