N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

C26H27ClN2O4 — CID 34713855

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCCN(Cc1ccccc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)C(C)=O
InChIInChI=1S/C26H27ClN2O4/c1-4-29(18(2)30)16-21-7-5-6-8-23(21)28-26(31)20-11-14-24(25(15-20)32-3)33-17-19-9-12-22(27)13-10-19/h5-15H,4,16-17H2,1-3H3,(H,28,31)
InChIKeyRBZXFBMQONZSGX-UHFFFAOYSA-N
MW466.97 g/mol
LogP5.55
Rot. Bonds9

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 34713855) has the molecular formula C26H27ClN2O4 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID34713855
Molecular FormulaC26H27ClN2O4
Molecular Weight466.97 g/mol
Exact Mass466.17
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCCN(Cc1ccccc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)C(C)=O
InChIInChI=1S/C26H27ClN2O4/c1-4-29(18(2)30)16-21-7-5-6-8-23(21)28-26(31)20-11-14-24(25(15-20)32-3)33-17-19-9-12-22(27)13-10-19/h5-15H,4,16-17H2,1-3H3,(H,28,31)
InChIKeyRBZXFBMQONZSGX-UHFFFAOYSA-N
XLogP5.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
CID 35929028
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
3-[[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]-ethylamino]propanoic acid
CID 119191439
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dimethoxybenzamide
CID 86982939
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
CID 1223749

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (CID 34713855) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is CCN(Cc1ccccc1NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is RBZXFBMQONZSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4/c1-4-29(18(2)30)16-21-7-5-6-8-23(21)28-26(31)20-11-14-24(25(15-20)32-3)33-17-19-9-12-22(27)13-10-19/h5-15H,4,16-17H2,1-3H3,(H,28,31).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 466.97 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 34713855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).