N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide

C20H22Cl2N2O2 — CID 155532464

IUPACN-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide
SMILESCC(C)(C)NC(=O)C(c1cccc(Cl)c1)N(C=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2,3)23-19(26)18(15-5-4-6-17(22)11-15)24(13-25)12-14-7-9-16(21)10-8-14/h4-11,13,18H,12H2,1-3H3,(H,23,26)
InChIKeyLDLKFDNJJNVMDZ-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.61
Rot. Bonds6

About N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide

N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide (PubChem CID 155532464) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide
PubChem CID155532464
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide
SMILESCC(C)(C)NC(=O)C(c1cccc(Cl)c1)N(C=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2,3)23-19(26)18(15-5-4-6-17(22)11-15)24(13-25)12-14-7-9-16(21)10-8-14/h4-11,13,18H,12H2,1-3H3,(H,23,26)
InChIKeyLDLKFDNJJNVMDZ-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(formyl)amino]-N-tert-butyl-2-[6-chloro-2-(4-methyl-1,3-dioxetan-2-yl)-1H-indol-3-yl]acetamide
CID 87112888
3-[2-(tert-butylamino)-1-[(3,4-difluorophenyl)methyl-formylamino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid
CID 53470410
ethyl 3-[2-(tert-butylamino)-1-[formyl-[(4-phenylphenyl)methyl]amino]-2-oxoethyl]-6-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 123456284
[2-(tert-butylamino)-1-(3-chlorophenyl)-2-oxoethyl]carbamic acid
CID 69109296
3-[2-(tert-butylamino)-1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl-formylamino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid
CID 155547556
ethyl 3-[2-(tert-butylamino)-1-[formyl-[[4-[(3-methoxyphenyl)methoxy]phenyl]methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate
CID 155560734
3-[benzyl(formyl)amino]-N-[(3-chlorophenyl)methyl]-2-hydroxybutanamide
CID 134350005
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide
CID 132725556
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133259564
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 132722766
[(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 90341642
N-tert-butyl-2-[(3-chlorophenyl)methyl-propanoylamino]propanamide
CID 133260357

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide?
The IUPAC name of N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide (CID 155532464) is N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide is CC(C)(C)NC(=O)C(c1cccc(Cl)c1)N(C=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide?
The InChIKey is LDLKFDNJJNVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-20(2,3)23-19(26)18(15-5-4-6-17(22)11-15)24(13-25)12-14-7-9-16(21)10-8-14/h4-11,13,18H,12H2,1-3H3,(H,23,26).
What are the key properties of N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide?
N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide has a molecular weight of 393.31 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-formylamino]acetamide is sourced from PubChem (CID 155532464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).