4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide

C20H20ClN3O3 — CID 119047574

IUPAC4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1
InChIInChI=1S/C20H20ClN3O3/c1-11-14-6-4-5-7-17(14)27-18(11)12(2)23-20(26)24-16-10-13(19(25)22-3)8-9-15(16)21/h4-10,12H,1-3H3,(H,22,25)(H2,23,24,26)/t12-/m0/s1
InChIKeyNOZVWDXFJACEOU-LBPRGKRZSA-N
MW385.85 g/mol
LogP4.64
Rot. Bonds4

About 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide

4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide (PubChem CID 119047574) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
PubChem CID119047574
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1
InChIInChI=1S/C20H20ClN3O3/c1-11-14-6-4-5-7-17(14)27-18(11)12(2)23-20(26)24-16-10-13(19(25)22-3)8-9-15(16)21/h4-10,12H,1-3H3,(H,22,25)(H2,23,24,26)/t12-/m0/s1
InChIKeyNOZVWDXFJACEOU-LBPRGKRZSA-N
XLogP4.64
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 94166195
N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide
CID 97230701
N,N-dimethyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 166532128
4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
CID 43721017
3-chloro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-indole-2-carboxamide
CID 55971333
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
1-[(2-chlorophenyl)methyl]-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 112837431
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyloxetan-3-yl)urea
CID 166532779
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)urea
CID 166280594
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166350441
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 167238820

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide (CID 119047574) is 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide is CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H](C)c2oc3ccccc3c2C)c1.
What is the InChIKey of 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide?
The InChIKey is NOZVWDXFJACEOU-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-11-14-6-4-5-7-17(14)27-18(11)12(2)23-20(26)24-16-10-13(19(25)22-3)8-9-15(16)21/h4-10,12H,1-3H3,(H,22,25)(H2,23,24,26)/t12-/m0/s1.
What are the key properties of 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide?
4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide has a molecular weight of 385.85 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide is sourced from PubChem (CID 119047574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).