N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide

C27H29ClN2O4 — CID 43887800

IUPACN-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C27H29ClN2O4/c1-18(2)16-17-33-23-14-8-20(9-15-23)27(32)30-22-12-10-21(11-13-22)29-26(31)19(3)34-25-7-5-4-6-24(25)28/h4-15,18-19H,16-17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyNGTPSNFKVNJMLD-UHFFFAOYSA-N
MW480.99 g/mol
LogP6.42
Rot. Bonds10

About N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide

N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide (PubChem CID 43887800) has the molecular formula C27H29ClN2O4 and a molecular weight of 480.99 g/mol. Its IUPAC name is N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide
PubChem CID43887800
Molecular FormulaC27H29ClN2O4
Molecular Weight480.99 g/mol
Exact Mass480.18
IUPAC NameN-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C27H29ClN2O4/c1-18(2)16-17-33-23-14-8-20(9-15-23)27(32)30-22-12-10-21(11-13-22)29-26(31)19(3)34-25-7-5-4-6-24(25)28/h4-15,18-19H,16-17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyNGTPSNFKVNJMLD-UHFFFAOYSA-N
XLogP6.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.99
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 43888101
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
CID 43887670
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-methoxybenzamide
CID 43888041
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
4-[2-(2-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 43878541
N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4932335
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide (CID 43887800) is N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide?
The InChIKey is NGTPSNFKVNJMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4/c1-18(2)16-17-33-23-14-8-20(9-15-23)27(32)30-22-12-10-21(11-13-22)29-26(31)19(3)34-25-7-5-4-6-24(25)28/h4-15,18-19H,16-17H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide?
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide has a molecular weight of 480.99 g/mol, XLogP of 6.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 43887800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).